date:20200515

Re: [ccp4bb] Using SFall for map conversion

2020-05-15 Thread Soisson, Stephen M

Sadly I am “well-seasoned” enough to remember the vax-Linux byte swaps.  Little 
endian vs big endian, and the whole thing.  I was not expecting the Convex 
reference here which brings back great memories of the Johns Hopkins Convex and 
the frigid room it resided in that sounded like you put your head in a jet 
turbine exhaust.  Good times.

Sent from my iPhone

On May 15, 2020, at 5:55 PM, Eleanor Dodson 
<176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk> wrote:


EXTERNAL EMAIL – Use caution with any links or file attachments.
Hmmm

On Fri, 15 May 2020 at 22:53, Ian Tickle 
mailto:ianj...@gmail.com>> wrote:

It worked perfectly, no-one even noticed the bytes being swapped :)

I.


On Fri, 15 May 2020 at 22:37, Eleanor Dodson 
<176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk>
 wrote:
No no please no!!! How I hated the byte swap.. most people used VAXy things - 
York didn’t - our bytes were not your bytes  stuff of nightmares...

On Fri, 15 May 2020 at 22:25, Jonathan Cooper 
<0c2488af9525-dmarc-requ...@jiscmail.ac.uk>
 wrote:
Ian, I can, as a not very scientific footnote, confirm that Jim Austin still 
has your Convex on his farm and, it seems, most of the manuals:

http://u.cubeupload.com/jbcooper/smallIMGP0087.jpg
http://u.cubeupload.com/jbcooper/smallIMGP0086.jpg
http://u.cubeupload.com/jbcooper/smallIMGP0078.jpg
http://u.cubeupload.com/jbcooper/smallIMGP0077.jpg
http://u.cubeupload.com/jbcooper/smallIMGP0089.jpg
http://u.cubeupload.com/jbcooper/smallIMGP0084.jpg
http://u.cubeupload.com/jbcooper/smallIMGP0103.jpg
http://u.cubeupload.com/jbcooper/smallIMGP0110.jpg

He also has at least one of the ex-bbk Evans & Sutherland PS300's:

http://u.cubeupload.com/jbcooper/smallIMGP0091.jpg
http://u.cubeupload.com/jbcooper/smallIMGP0093.jpg

A few cobwebs, but pretty good going really for a 'former' pig-shed!! Not sure 
what happened to the 11/750, though... School of Pharmacy rings a bell??

None of this matters, but I just thought you might like to practice some 
'big-iron' byte-swapping again, and if so, York is the place to go, after 
covid-19, of course ;-0 ;-0
On Friday, 15 May 2020, 10:47:40 BST, Ian Tickle 
mailto:ianj...@gmail.com>> wrote:



Hi, that would have to be a very old map!  I remember implementing the 
auto-byte swap for VMS (necessary as we had both a Convex C220 running Unix and 
a VAX 11/750)!

In fact the Convex was rescued from scrap by Jim Austin and is still working: 
http://www.corestore.org/convex.htm

Cheers

-- Ian




Cheers

-- Ian


On Fri, 15 May 2020 at 09:24, Philippe BENAS 
<0d88e888355a-dmarc-requ...@jiscmail.ac.uk>
 wrote:
Dear Bernhard,

Is it an old map ?

Back to the old VAX times I had to dump CCP4 maps to ascii map files, then swap 
bytes from VAX-DOS to Unix before converting them again to a CCP4 map format (I 
think I was using mapman from USF) on a Unix workstation and be able to read 
them in Frodo-Strasbourg or O.

At least you could give it a shot and the ascii map file would help you 
figuring out the issue by a visual inspection of the header and sections.

All the best,
Philippe


Philippe BENAS, Ph.D.

ARN UPR 9002 CNRS
IBMC Strasbourg
2, Allée Konrad Röntgen
F-67084 STRASBOURG cedex
+33.3.8841.7109
E-mails: p.be...@ibmc-cnrs.unistra.fr, 
philippe_be...@yahoo.fr
URLs: http://www-ibmc.u-strasbg.fr/ , http://www-ibmc.u-strasbg.fr/spip-arn/




Le jeudi 14 mai 2020 à 22:45:09 UTC+2, Bernhard Rupp 
mailto:hofkristall...@gmail.com>> a écrit :



Hi Fellows,



I am failing on conversion of a ccp4 map to mtz using Sfall



I provide as a scale reference a mtz with FP SIGFP and R free



All cell constants and SG 20 and map headers seem to agree.



But I receive following warning:



*** WARNING - your map spacegroup is different to the program default one ***



and later



>> CCP4 library signal library_file:Cannot open file (Warning)

raised in tmpfile() failed, opening normal file instead. <<

INPUT X USED AS  X

INPUT Y USED AS  Z

INPUT Z USED AS  Y



Which then leads to the imho - given above- justified complaint:



Check map header agrees with fixed requirements for SFcalc for this spacegroup.

Check Nxyz 180 200 120180 200 120



Check map header agrees with fixed requirements for SFcalc for this  spacegroup.

Check Iuvw   3   2   1  3   1   2



SFALL:    Fatal disagreement between input info and map header



How do I fix this ?



In principle all the information is there to do the job…



Many thx, BR

--

Bernhard Rupp

Crystallographiae Vindicis Militum Ordo

http://www.hofkristallamt.org/

b...@hofkristallamt.org

+1

Re: [ccp4bb] Using SFall for map conversion

2020-05-15 Thread Ian Tickle

I kept the Fortran and C language manuals, and still use them to this day.

I.


On Fri, 15 May 2020 at 22:25, Jonathan Cooper  wrote:

> Ian, I can, as a not very scientific footnote, confirm that Jim Austin
> still has your Convex on his farm and, it seems, most of the manuals:
>
> http://u.cubeupload.com/jbcooper/smallIMGP0087.jpg
> http://u.cubeupload.com/jbcooper/smallIMGP0086.jpg
> http://u.cubeupload.com/jbcooper/smallIMGP0078.jpg
> http://u.cubeupload.com/jbcooper/smallIMGP0077.jpg
> http://u.cubeupload.com/jbcooper/smallIMGP0089.jpg
> http://u.cubeupload.com/jbcooper/smallIMGP0084.jpg
> http://u.cubeupload.com/jbcooper/smallIMGP0103.jpg
> http://u.cubeupload.com/jbcooper/smallIMGP0110.jpg
>
> He also has at least one of the ex-bbk Evans & Sutherland PS300's:
>
> http://u.cubeupload.com/jbcooper/smallIMGP0091.jpg
> http://u.cubeupload.com/jbcooper/smallIMGP0093.jpg
>
> A few cobwebs, but pretty good going really for a 'former' pig-shed!! Not
> sure what happened to the 11/750, though... School of Pharmacy rings a
> bell??
>
> None of this matters, but I just thought you might like to practice some
> 'big-iron' byte-swapping again, and if so, York is the place to go, after
> covid-19, of course ;-0 ;-0
> On Friday, 15 May 2020, 10:47:40 BST, Ian Tickle 
> wrote:
>
>
>
> Hi, that would have to be a very old map!  I remember implementing the
> auto-byte swap for VMS (necessary as we had both a Convex C220 running Unix
> and a VAX 11/750)!
>
> In fact the Convex was rescued from scrap by Jim Austin and is still
> working: http://www.corestore.org/convex.htm
>
> Cheers
>
> -- Ian
>
>
>
>
> Cheers
>
> -- Ian
>
>
> On Fri, 15 May 2020 at 09:24, Philippe BENAS <
> 0d88e888355a-dmarc-requ...@jiscmail.ac.uk> wrote:
>
> Dear Bernhard,
>
> Is it an old map ?
>
> Back to the old VAX times I had to dump CCP4 maps to ascii map files, then
> swap bytes from VAX-DOS to Unix before converting them again to a CCP4 map
> format (I think I was using mapman from USF) on a Unix workstation and be
> able to read them in Frodo-Strasbourg or O.
>
> At least you could give it a shot and the ascii map file would help you
> figuring out the issue by a visual inspection of the header and sections.
>
> All the best,
> Philippe
>
> --
> Philippe BENAS, Ph.D.
>
> ARN UPR 9002 CNRS
> IBMC Strasbourg
> 2, Allée Konrad Röntgen
> F-67084 STRASBOURG cedex
> +33.3.8841.7109
> E-mails: p.be...@ibmc-cnrs.unistra.fr, philippe_be...@yahoo.fr
> URLs: http://www-ibmc.u-strasbg.fr/ ,
> http://www-ibmc.u-strasbg.fr/spip-arn/
> --
>
>
>
> Le jeudi 14 mai 2020 à 22:45:09 UTC+2, Bernhard Rupp <
> hofkristall...@gmail.com> a écrit :
>
>
> Hi Fellows,
>
>
>
> I am failing on conversion of a ccp4 map to mtz using Sfall
>
>
>
> I provide as a scale reference a mtz with FP SIGFP and R free
>
>
>
> All cell constants and SG 20 and map headers seem to agree.
>
>
>
> But I receive following warning:
>
>
>
> *** WARNING - your map spacegroup is different to the program default one
> ***
>
>
>
> and later
>
>
>
> >> CCP4 library signal library_file:Cannot open file (Warning)
>
> raised in tmpfile() failed, opening normal file instead. <<
>
> INPUT X USED AS  X
>
> INPUT Y USED AS  Z
>
> INPUT Z USED AS  Y
>
>
>
> Which then leads to the imho - given above- justified complaint:
>
>
>
> Check map header agrees with fixed requirements for SFcalc for this
> spacegroup.
>
> Check Nxyz 180 200 120180 200 120
>
>
>
> Check map header agrees with fixed requirements for SFcalc for this
> spacegroup.
>
> Check Iuvw   3   2   1  3   1   2
>
> 
>
> SFALL:    Fatal disagreement between input info and map header
>
>
>
> How do I fix this ?
>
>
>
> In principle all the information is there to do the job…
>
>
>
> Many thx, BR
>
> --
>
> Bernhard Rupp
>
> Crystallographiae Vindicis Militum Ordo
>
> http://www.hofkristallamt.org/
>
> b...@hofkristallamt.org
>
> +1 925 209 7429
>
> +43 676 571 0536
>
> --
>
> Many plausible ideas vanish
>
> at the presence of thought
>
> --
>
>
>
> --
>
> To unsubscribe from the CCP4BB list, click the following link:
> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1
>
> --
>
> To unsubscribe from the CCP4BB list, click the following link:
> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1
>
>
> --
>
> To unsubscribe from the CCP4BB list, click the following link:
> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1
>



To unsubscribe from the CCP4BB list, click the following link:
https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1

Re: [ccp4bb] Using SFall for map conversion

2020-05-15 Thread Eleanor Dodson

Hmmm

On Fri, 15 May 2020 at 22:53, Ian Tickle  wrote:

>
> It worked perfectly, no-one even noticed the bytes being swapped :)
>
> I.
>
>
> On Fri, 15 May 2020 at 22:37, Eleanor Dodson <
> 176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk> wrote:
>
>> No no please no!!! How I hated the byte swap.. most people used VAXy
>> things - York didn’t - our bytes were not your bytes  stuff of
>> nightmares...
>>
>> On Fri, 15 May 2020 at 22:25, Jonathan Cooper <
>> 0c2488af9525-dmarc-requ...@jiscmail.ac.uk> wrote:
>>
>>> Ian, I can, as a not very scientific footnote, confirm that Jim Austin
>>> still has your Convex on his farm and, it seems, most of the manuals:
>>>
>>> http://u.cubeupload.com/jbcooper/smallIMGP0087.jpg
>>> http://u.cubeupload.com/jbcooper/smallIMGP0086.jpg
>>> http://u.cubeupload.com/jbcooper/smallIMGP0078.jpg
>>> http://u.cubeupload.com/jbcooper/smallIMGP0077.jpg
>>> http://u.cubeupload.com/jbcooper/smallIMGP0089.jpg
>>> http://u.cubeupload.com/jbcooper/smallIMGP0084.jpg
>>> http://u.cubeupload.com/jbcooper/smallIMGP0103.jpg
>>> http://u.cubeupload.com/jbcooper/smallIMGP0110.jpg
>>>
>>> He also has at least one of the ex-bbk Evans & Sutherland PS300's:
>>>
>>> http://u.cubeupload.com/jbcooper/smallIMGP0091.jpg
>>> http://u.cubeupload.com/jbcooper/smallIMGP0093.jpg
>>>
>>> A few cobwebs, but pretty good going really for a 'former' pig-shed!!
>>> Not sure what happened to the 11/750, though... School of Pharmacy rings a
>>> bell??
>>>
>>> None of this matters, but I just thought you might like to practice some
>>> 'big-iron' byte-swapping again, and if so, York is the place to go, after
>>> covid-19, of course ;-0 ;-0
>>> On Friday, 15 May 2020, 10:47:40 BST, Ian Tickle 
>>> wrote:
>>>
>>>
>>>
>>> Hi, that would have to be a very old map!  I remember implementing the
>>> auto-byte swap for VMS (necessary as we had both a Convex C220 running Unix
>>> and a VAX 11/750)!
>>>
>>> In fact the Convex was rescued from scrap by Jim Austin and is still
>>> working: http://www.corestore.org/convex.htm
>>>
>>> Cheers
>>>
>>> -- Ian
>>>
>>>
>>>
>>>
>>> Cheers
>>>
>>> -- Ian
>>>
>>>
>>> On Fri, 15 May 2020 at 09:24, Philippe BENAS <
>>> 0d88e888355a-dmarc-requ...@jiscmail.ac.uk> wrote:
>>>
>>> Dear Bernhard,
>>>
>>> Is it an old map ?
>>>
>>> Back to the old VAX times I had to dump CCP4 maps to ascii map files,
>>> then swap bytes from VAX-DOS to Unix before converting them again to a CCP4
>>> map format (I think I was using mapman from USF) on a Unix workstation and
>>> be able to read them in Frodo-Strasbourg or O.
>>>
>>> At least you could give it a shot and the ascii map file would help you
>>> figuring out the issue by a visual inspection of the header and sections.
>>>
>>> All the best,
>>> Philippe
>>>
>>> --
>>> Philippe BENAS, Ph.D.
>>>
>>> ARN UPR 9002 CNRS
>>> IBMC Strasbourg
>>> 2, Allée Konrad Röntgen
>>> F-67084 STRASBOURG cedex
>>> +33.3.8841.7109
>>> E-mails: p.be...@ibmc-cnrs.unistra.fr, philippe_be...@yahoo.fr
>>> URLs: http://www-ibmc.u-strasbg.fr/ ,
>>> http://www-ibmc.u-strasbg.fr/spip-arn/
>>> --
>>>
>>>
>>>
>>> Le jeudi 14 mai 2020 à 22:45:09 UTC+2, Bernhard Rupp <
>>> hofkristall...@gmail.com> a écrit :
>>>
>>>
>>> Hi Fellows,
>>>
>>>
>>>
>>> I am failing on conversion of a ccp4 map to mtz using Sfall
>>>
>>>
>>>
>>> I provide as a scale reference a mtz with FP SIGFP and R free
>>>
>>>
>>>
>>> All cell constants and SG 20 and map headers seem to agree.
>>>
>>>
>>>
>>> But I receive following warning:
>>>
>>>
>>>
>>> *** WARNING - your map spacegroup is different to the program default
>>> one ***
>>>
>>>
>>>
>>> and later
>>>
>>>
>>>
>>> >> CCP4 library signal library_file:Cannot open file (Warning)
>>>
>>> raised in tmpfile() failed, opening normal file instead. <<
>>>
>>> INPUT X USED AS  X
>>>
>>> INPUT Y USED AS  Z
>>>
>>> INPUT Z USED AS  Y
>>>
>>>
>>>
>>> Which then leads to the imho - given above- justified complaint:
>>>
>>>
>>>
>>> Check map header agrees with fixed requirements for SFcalc for this
>>> spacegroup.
>>>
>>> Check Nxyz 180 200 120180 200 120
>>>
>>>
>>>
>>> Check map header agrees with fixed requirements for SFcalc for this
>>> spacegroup.
>>>
>>> Check Iuvw   3   2   1  3   1   2
>>>
>>> 
>>>
>>> SFALL:    Fatal disagreement between input info and map header
>>>
>>>
>>>
>>> How do I fix this ?
>>>
>>>
>>>
>>> In principle all the information is there to do the job…
>>>
>>>
>>>
>>> Many thx, BR
>>>
>>> --
>>>
>>> Bernhard Rupp
>>>
>>> Crystallographiae Vindicis Militum Ordo
>>>
>>> http://www.hofkristallamt.org/
>>>
>>> b...@hofkristallamt.org
>>>
>>> +1 925 209 7429
>>>
>>> +43 676 571 0536
>>>
>>> --
>>>
>>> Many plausible ideas vanish
>>>
>>> at the presence of thought
>>>
>>> --
>>>
>>>
>>>
>>>

Re: [ccp4bb] Using SFall for map conversion

2020-05-15 Thread Ian Tickle

It worked perfectly, no-one even noticed the bytes being swapped :)

I.


On Fri, 15 May 2020 at 22:37, Eleanor Dodson <
176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk> wrote:

> No no please no!!! How I hated the byte swap.. most people used VAXy
> things - York didn’t - our bytes were not your bytes  stuff of
> nightmares...
>
> On Fri, 15 May 2020 at 22:25, Jonathan Cooper <
> 0c2488af9525-dmarc-requ...@jiscmail.ac.uk> wrote:
>
>> Ian, I can, as a not very scientific footnote, confirm that Jim Austin
>> still has your Convex on his farm and, it seems, most of the manuals:
>>
>> http://u.cubeupload.com/jbcooper/smallIMGP0087.jpg
>> http://u.cubeupload.com/jbcooper/smallIMGP0086.jpg
>> http://u.cubeupload.com/jbcooper/smallIMGP0078.jpg
>> http://u.cubeupload.com/jbcooper/smallIMGP0077.jpg
>> http://u.cubeupload.com/jbcooper/smallIMGP0089.jpg
>> http://u.cubeupload.com/jbcooper/smallIMGP0084.jpg
>> http://u.cubeupload.com/jbcooper/smallIMGP0103.jpg
>> http://u.cubeupload.com/jbcooper/smallIMGP0110.jpg
>>
>> He also has at least one of the ex-bbk Evans & Sutherland PS300's:
>>
>> http://u.cubeupload.com/jbcooper/smallIMGP0091.jpg
>> http://u.cubeupload.com/jbcooper/smallIMGP0093.jpg
>>
>> A few cobwebs, but pretty good going really for a 'former' pig-shed!! Not
>> sure what happened to the 11/750, though... School of Pharmacy rings a
>> bell??
>>
>> None of this matters, but I just thought you might like to practice some
>> 'big-iron' byte-swapping again, and if so, York is the place to go, after
>> covid-19, of course ;-0 ;-0
>> On Friday, 15 May 2020, 10:47:40 BST, Ian Tickle 
>> wrote:
>>
>>
>>
>> Hi, that would have to be a very old map!  I remember implementing the
>> auto-byte swap for VMS (necessary as we had both a Convex C220 running Unix
>> and a VAX 11/750)!
>>
>> In fact the Convex was rescued from scrap by Jim Austin and is still
>> working: http://www.corestore.org/convex.htm
>>
>> Cheers
>>
>> -- Ian
>>
>>
>>
>>
>> Cheers
>>
>> -- Ian
>>
>>
>> On Fri, 15 May 2020 at 09:24, Philippe BENAS <
>> 0d88e888355a-dmarc-requ...@jiscmail.ac.uk> wrote:
>>
>> Dear Bernhard,
>>
>> Is it an old map ?
>>
>> Back to the old VAX times I had to dump CCP4 maps to ascii map files,
>> then swap bytes from VAX-DOS to Unix before converting them again to a CCP4
>> map format (I think I was using mapman from USF) on a Unix workstation and
>> be able to read them in Frodo-Strasbourg or O.
>>
>> At least you could give it a shot and the ascii map file would help you
>> figuring out the issue by a visual inspection of the header and sections.
>>
>> All the best,
>> Philippe
>>
>> --
>> Philippe BENAS, Ph.D.
>>
>> ARN UPR 9002 CNRS
>> IBMC Strasbourg
>> 2, Allée Konrad Röntgen
>> F-67084 STRASBOURG cedex
>> +33.3.8841.7109
>> E-mails: p.be...@ibmc-cnrs.unistra.fr, philippe_be...@yahoo.fr
>> URLs: http://www-ibmc.u-strasbg.fr/ ,
>> http://www-ibmc.u-strasbg.fr/spip-arn/
>> --
>>
>>
>>
>> Le jeudi 14 mai 2020 à 22:45:09 UTC+2, Bernhard Rupp <
>> hofkristall...@gmail.com> a écrit :
>>
>>
>> Hi Fellows,
>>
>>
>>
>> I am failing on conversion of a ccp4 map to mtz using Sfall
>>
>>
>>
>> I provide as a scale reference a mtz with FP SIGFP and R free
>>
>>
>>
>> All cell constants and SG 20 and map headers seem to agree.
>>
>>
>>
>> But I receive following warning:
>>
>>
>>
>> *** WARNING - your map spacegroup is different to the program default one
>> ***
>>
>>
>>
>> and later
>>
>>
>>
>> >> CCP4 library signal library_file:Cannot open file (Warning)
>>
>> raised in tmpfile() failed, opening normal file instead. <<
>>
>> INPUT X USED AS  X
>>
>> INPUT Y USED AS  Z
>>
>> INPUT Z USED AS  Y
>>
>>
>>
>> Which then leads to the imho - given above- justified complaint:
>>
>>
>>
>> Check map header agrees with fixed requirements for SFcalc for this
>> spacegroup.
>>
>> Check Nxyz 180 200 120180 200 120
>>
>>
>>
>> Check map header agrees with fixed requirements for SFcalc for this
>> spacegroup.
>>
>> Check Iuvw   3   2   1  3   1   2
>>
>> 
>>
>> SFALL:    Fatal disagreement between input info and map header
>>
>>
>>
>> How do I fix this ?
>>
>>
>>
>> In principle all the information is there to do the job…
>>
>>
>>
>> Many thx, BR
>>
>> --
>>
>> Bernhard Rupp
>>
>> Crystallographiae Vindicis Militum Ordo
>>
>> http://www.hofkristallamt.org/
>>
>> b...@hofkristallamt.org
>>
>> +1 925 209 7429
>>
>> +43 676 571 0536
>>
>> --
>>
>> Many plausible ideas vanish
>>
>> at the presence of thought
>>
>> --
>>
>>
>>
>> --
>>
>> To unsubscribe from the CCP4BB list, click the following link:
>> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1
>>
>> --
>>
>> To unsubscribe from the CCP4BB list, click the

Re: [ccp4bb] Using SFall for map conversion

2020-05-15 Thread Eleanor Dodson

No no please no!!! How I hated the byte swap.. most people used VAXy things
- York didn’t - our bytes were not your bytes  stuff of nightmares...

On Fri, 15 May 2020 at 22:25, Jonathan Cooper <
0c2488af9525-dmarc-requ...@jiscmail.ac.uk> wrote:

> Ian, I can, as a not very scientific footnote, confirm that Jim Austin
> still has your Convex on his farm and, it seems, most of the manuals:
>
> http://u.cubeupload.com/jbcooper/smallIMGP0087.jpg
> http://u.cubeupload.com/jbcooper/smallIMGP0086.jpg
> http://u.cubeupload.com/jbcooper/smallIMGP0078.jpg
> http://u.cubeupload.com/jbcooper/smallIMGP0077.jpg
> http://u.cubeupload.com/jbcooper/smallIMGP0089.jpg
> http://u.cubeupload.com/jbcooper/smallIMGP0084.jpg
> http://u.cubeupload.com/jbcooper/smallIMGP0103.jpg
> http://u.cubeupload.com/jbcooper/smallIMGP0110.jpg
>
> He also has at least one of the ex-bbk Evans & Sutherland PS300's:
>
> http://u.cubeupload.com/jbcooper/smallIMGP0091.jpg
> http://u.cubeupload.com/jbcooper/smallIMGP0093.jpg
>
> A few cobwebs, but pretty good going really for a 'former' pig-shed!! Not
> sure what happened to the 11/750, though... School of Pharmacy rings a
> bell??
>
> None of this matters, but I just thought you might like to practice some
> 'big-iron' byte-swapping again, and if so, York is the place to go, after
> covid-19, of course ;-0 ;-0
> On Friday, 15 May 2020, 10:47:40 BST, Ian Tickle 
> wrote:
>
>
>
> Hi, that would have to be a very old map!  I remember implementing the
> auto-byte swap for VMS (necessary as we had both a Convex C220 running Unix
> and a VAX 11/750)!
>
> In fact the Convex was rescued from scrap by Jim Austin and is still
> working: http://www.corestore.org/convex.htm
>
> Cheers
>
> -- Ian
>
>
>
>
> Cheers
>
> -- Ian
>
>
> On Fri, 15 May 2020 at 09:24, Philippe BENAS <
> 0d88e888355a-dmarc-requ...@jiscmail.ac.uk> wrote:
>
> Dear Bernhard,
>
> Is it an old map ?
>
> Back to the old VAX times I had to dump CCP4 maps to ascii map files, then
> swap bytes from VAX-DOS to Unix before converting them again to a CCP4 map
> format (I think I was using mapman from USF) on a Unix workstation and be
> able to read them in Frodo-Strasbourg or O.
>
> At least you could give it a shot and the ascii map file would help you
> figuring out the issue by a visual inspection of the header and sections.
>
> All the best,
> Philippe
>
> --
> Philippe BENAS, Ph.D.
>
> ARN UPR 9002 CNRS
> IBMC Strasbourg
> 2, Allée Konrad Röntgen
> F-67084 STRASBOURG cedex
> +33.3.8841.7109
> E-mails: p.be...@ibmc-cnrs.unistra.fr, philippe_be...@yahoo.fr
> URLs: http://www-ibmc.u-strasbg.fr/ ,
> http://www-ibmc.u-strasbg.fr/spip-arn/
> --
>
>
>
> Le jeudi 14 mai 2020 à 22:45:09 UTC+2, Bernhard Rupp <
> hofkristall...@gmail.com> a écrit :
>
>
> Hi Fellows,
>
>
>
> I am failing on conversion of a ccp4 map to mtz using Sfall
>
>
>
> I provide as a scale reference a mtz with FP SIGFP and R free
>
>
>
> All cell constants and SG 20 and map headers seem to agree.
>
>
>
> But I receive following warning:
>
>
>
> *** WARNING - your map spacegroup is different to the program default one
> ***
>
>
>
> and later
>
>
>
> >> CCP4 library signal library_file:Cannot open file (Warning)
>
> raised in tmpfile() failed, opening normal file instead. <<
>
> INPUT X USED AS  X
>
> INPUT Y USED AS  Z
>
> INPUT Z USED AS  Y
>
>
>
> Which then leads to the imho - given above- justified complaint:
>
>
>
> Check map header agrees with fixed requirements for SFcalc for this
> spacegroup.
>
> Check Nxyz 180 200 120180 200 120
>
>
>
> Check map header agrees with fixed requirements for SFcalc for this
> spacegroup.
>
> Check Iuvw   3   2   1  3   1   2
>
> 
>
> SFALL:    Fatal disagreement between input info and map header
>
>
>
> How do I fix this ?
>
>
>
> In principle all the information is there to do the job…
>
>
>
> Many thx, BR
>
> --
>
> Bernhard Rupp
>
> Crystallographiae Vindicis Militum Ordo
>
> http://www.hofkristallamt.org/
>
> b...@hofkristallamt.org
>
> +1 925 209 7429
>
> +43 676 571 0536
>
> --
>
> Many plausible ideas vanish
>
> at the presence of thought
>
> --
>
>
>
> --
>
> To unsubscribe from the CCP4BB list, click the following link:
> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1
>
> --
>
> To unsubscribe from the CCP4BB list, click the following link:
> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1
>
>
> --
>
> To unsubscribe from the CCP4BB list, click the following link:
> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1
>
> --
>
> To unsubscribe from the CCP4BB list, click the following link:
>

Re: [ccp4bb] Using SFall for map conversion

2020-05-15 Thread Jonathan Cooper

 Ian, I can, as a not very scientific footnote, confirm that Jim Austin still 
has your Convex on his farm and, it seems, most of the manuals: 
http://u.cubeupload.com/jbcooper/smallIMGP0087.jpg
http://u.cubeupload.com/jbcooper/smallIMGP0086.jpg
http://u.cubeupload.com/jbcooper/smallIMGP0078.jpg
http://u.cubeupload.com/jbcooper/smallIMGP0077.jpg
http://u.cubeupload.com/jbcooper/smallIMGP0089.jpg
http://u.cubeupload.com/jbcooper/smallIMGP0084.jpg
http://u.cubeupload.com/jbcooper/smallIMGP0103.jpg
http://u.cubeupload.com/jbcooper/smallIMGP0110.jpg

He also has at least one of the ex-bbk Evans & Sutherland PS300's:
http://u.cubeupload.com/jbcooper/smallIMGP0091.jpg
http://u.cubeupload.com/jbcooper/smallIMGP0093.jpg

A few cobwebs, but pretty good going really for a 'former' pig-shed!! Not sure 
what happened to the 11/750, though... School of Pharmacy rings a bell??
None of this matters, but I just thought you might like to practice some 
'big-iron' byte-swapping again, and if so, York is the place to go, after 
covid-19, of course ;-0 ;-0On Friday, 15 May 2020, 10:47:40 BST, Ian Tickle 
 wrote:  
 
 
Hi, that would have to be a very old map!  I remember implementing the 
auto-byte swap for VMS (necessary as we had both a Convex C220 running Unix and 
a VAX 11/750)!
In fact the Convex was rescued from scrap by Jim Austin and is still working: 
http://www.corestore.org/convex.htm
Cheers
-- Ian



Cheers
-- Ian

On Fri, 15 May 2020 at 09:24, Philippe BENAS 
<0d88e888355a-dmarc-requ...@jiscmail.ac.uk> wrote:

Dear Bernhard,

Is it an old map ?

Back to the old VAX times I had to dump CCP4 maps to ascii map files, then swap 
bytes from VAX-DOS to Unix before converting them again to a CCP4 map format (I 
think I was using mapman from USF) on a Unix workstation and be able to read 
them in Frodo-Strasbourg or O.

At least you could give it a shot and the ascii map file would help you 
figuring out the issue by a visual inspection of the header and sections.

All the best,
Philippe

Philippe BENAS, Ph.D.

ARN UPR 9002 CNRS
IBMC Strasbourg
2, Allée Konrad Röntgen
F-67084 STRASBOURG cedex
+33.3.8841.7109
E-mails: p.be...@ibmc-cnrs.unistra.fr, philippe_be...@yahoo.fr
URLs:   http://www-ibmc.u-strasbg.fr/ , http://www-ibmc.u-strasbg.fr/spip-arn/

 

Le jeudi 14 mai 2020 à 22:45:09 UTC+2, Bernhard Rupp 
 a écrit :  
 
 
Hi Fellows,

  

I am failing on conversion of a ccp4 map to mtz using Sfall

  

I provide as a scale reference a mtz with FP SIGFP and R free

  

All cell constants and SG 20 and map headers seem to agree.

  

But I receive following warning:

  

*** WARNING - your map spacegroup is different to the program default one ***

  

and later

  

>> CCP4 library signal library_file:Cannot open file (Warning)

    raised in tmpfile() failed, opening normal file instead. <<

    INPUT X USED AS  X

    INPUT Y USED AS  Z

    INPUT Z USED AS  Y

  

Which then leads to the imho - given above- justified complaint:

  

Check map header agrees with fixed requirements for SFcalc for this spacegroup.

Check Nxyz 180 200 120    180 200 120

  

Check map header agrees with fixed requirements for SFcalc for this  spacegroup.

Check Iuvw   3   2   1  3   1   2



SFALL:    Fatal disagreement between input info and map header

  

How do I fix this ? 

  

In principle all the information is there to do the job…

  

Many thx, BR

--

Bernhard Rupp

Crystallographiae Vindicis Militum Ordo

http://www.hofkristallamt.org/

b...@hofkristallamt.org

+1 925 209 7429

+43 676 571 0536

--

Many plausible ideas vanish 

at the presence of thought

--

  
 

To unsubscribe from the CCP4BB list, click the following link:
https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1
  

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Re: [ccp4bb] Using SFall for map conversion

2020-05-15 Thread Bernhard Rupp

Thanks, I would not have the PDP 11 hardware anymore to read the 8” floppies  
No, the problem really was standard sequence of the grid axes sfall expects due 
to SG dependent FFT routines. 

Best, BR

 

From: Philippe BENAS  
Sent: Friday, May 15, 2020 01:23
To: ccp4bb@jiscmail.ac.uk; b...@hofkristallamt.org
Subject: Re: [ccp4bb] Using SFall for map conversion

 

Dear Bernhard,

 

Is it an old map ?

 

Back to the old VAX times I had to dump CCP4 maps to ascii map files, then swap 
bytes from VAX-DOS to Unix before converting them again to a CCP4 map format (I 
think I was using mapman from USF) on a Unix workstation and be able to read 
them in Frodo-Strasbourg or O.

 

At least you could give it a shot and the ascii map file would help you 
figuring out the issue by a visual inspection of the header and sections.

 

All the best,

Philippe

 

  _  

Philippe BENAS, Ph.D.

ARN UPR 9002 CNRS
IBMC Strasbourg
2, Allée Konrad Röntgen
F-67084 STRASBOURG cedex
+33.3.8841.7109

E-mails: p.be...@ibmc-cnrs.unistra.fr  , 
philippe_be...@yahoo.fr  
URLs: http://www-ibmc.u-strasbg.fr/ , http://www-ibmc.u-strasbg.fr/spip-arn/

  _  

 

 

 

Le jeudi 14 mai 2020 à 22:45:09 UTC+2, Bernhard Rupp mailto:hofkristall...@gmail.com> > a écrit : 

 

 

Hi Fellows,

 

I am failing on conversion of a ccp4 map to mtz using Sfall

 

I provide as a scale reference a mtz with FP SIGFP and R free

 

All cell constants and SG 20 and map headers seem to agree.

 

But I receive following warning:

 

*** WARNING - your map spacegroup is different to the program default one ***

 

and later

 

>> CCP4 library signal library_file:Cannot open file (Warning)

raised in tmpfile() failed, opening normal file instead. <<

INPUT X USED AS  X

INPUT Y USED AS  Z

INPUT Z USED AS  Y

 

Which then leads to the imho - given above- justified complaint:

 

Check map header agrees with fixed requirements for SFcalc for this spacegroup.

Check Nxyz 180 200 120180 200 120

 

Check map header agrees with fixed requirements for SFcalc for this  spacegroup.

Check Iuvw   3   2   1  3   1   2



SFALL:    Fatal disagreement between input info and map header

 

How do I fix this ? 

 

In principle all the information is there to do the job…

 

Many thx, BR

--

Bernhard Rupp

Crystallographiae Vindicis Militum Ordo

http://www.hofkristallamt.org/

b...@hofkristallamt.org  

+1 925 209 7429

+43 676 571 0536

--

Many plausible ideas vanish 

at the presence of thought

--

 

 

  _  

To unsubscribe from the CCP4BB list, click the following link:
https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB 
 =1 




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Re: [ccp4bb] Using SFall for map conversion

2020-05-15 Thread Bernhard Rupp

Yes, as suggested, it works just fine with maprot and sfall out of the ccp4i 
interface, and the approximate scaling to refence Fo is enough for my hack.

Did not get the Refmac sfall option working but I am still troubleshooting this.

Will transition to clipper tools to avoid age discrimination.

Cheers, BR

From: CCP4 bulletin board  On Behalf Of Eleanor Dodson
Sent: Friday, May 15, 2020 02:46
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Using SFall for map conversion

maprot will rewrite your map with a changed axis order, as required for sfall.

And grateful as I am to see someone still loyal to sfall, 40+ years after it wa 
written!, there are more modern tools.

In the CCP4I interace go to 

Map & Mask faculities

Clipper Map tools, and there is a map to SFS utility.

Eleanor

On Fri, 15 May 2020 at 09:24, Philippe BENAS 
<0d88e888355a-dmarc-requ...@jiscmail.ac.uk 
 > wrote:

Dear Bernhard,

Is it an old map ?

Back to the old VAX times I had to dump CCP4 maps to ascii map files, then swap 
bytes from VAX-DOS to Unix before converting them again to a CCP4 map format (I 
think I was using mapman from USF) on a Unix workstation and be able to read 
them in Frodo-Strasbourg or O.

At least you could give it a shot and the ascii map file would help you 
figuring out the issue by a visual inspection of the header and sections.

All the best,

Philippe

  _  

Philippe BENAS, Ph.D.

ARN UPR 9002 CNRS
IBMC Strasbourg
2, Allée Konrad Röntgen
F-67084 STRASBOURG cedex
+33.3.8841.7109

E-mails: p.be...@ibmc-cnrs.unistra.fr  , 
philippe_be...@yahoo.fr  
URLs: http://www-ibmc.u-strasbg.fr/ , http://www-ibmc.u-strasbg.fr/spip-arn/

  _  

Le jeudi 14 mai 2020 à 22:45:09 UTC+2, Bernhard Rupp mailto:hofkristall...@gmail.com> > a écrit : 

Hi Fellows,

I am failing on conversion of a ccp4 map to mtz using Sfall

I provide as a scale reference a mtz with FP SIGFP and R free

All cell constants and SG 20 and map headers seem to agree.

But I receive following warning:

*** WARNING - your map spacegroup is different to the program default one ***

and later

>> CCP4 library signal library_file:Cannot open file (Warning)

raised in tmpfile() failed, opening normal file instead. <<

INPUT X USED AS  X

INPUT Y USED AS  Z

INPUT Z USED AS  Y

Which then leads to the imho - given above- justified complaint:

Check map header agrees with fixed requirements for SFcalc for this spacegroup.

Check Nxyz 180 200 120180 200 120

Check map header agrees with fixed requirements for SFcalc for this  spacegroup.

Check Iuvw   3   2   1  3   1   2

SFALL:    Fatal disagreement between input info and map header

How do I fix this ? 

In principle all the information is there to do the job…

Many thx, BR

--

Bernhard Rupp

Crystallographiae Vindicis Militum Ordo

http://www.hofkristallamt.org/

b...@hofkristallamt.org  

+1 925 209 7429

+43 676 571 0536

--

Many plausible ideas vanish 

at the presence of thought

--

  _  

To unsubscribe from the CCP4BB list, click the following link:
https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB 
 =1 

  _  

To unsubscribe from the CCP4BB list, click the following link:
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 =1 

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Re: [ccp4bb] Using SFall for map conversion

2020-05-15 Thread Eleanor Dodson

Yes - but I meant too swap axes X Y Z yo X Z Y or whater the old inverse
FFT required to work in SG 20..


On Fri, 15 May 2020 at 10:47, Ian Tickle  wrote:

>
> Hi, that would have to be a very old map!  I remember implementing the
> auto-byte swap for VMS (necessary as we had both a Convex C220 running Unix
> and a VAX 11/750)!
>
> In fact the Convex was rescued from scrap by Jim Austin and is still
> working: http://www.corestore.org/convex.htm
>
> Cheers
>
> -- Ian
>
>
>
>
> Cheers
>
> -- Ian
>
>
> On Fri, 15 May 2020 at 09:24, Philippe BENAS <
> 0d88e888355a-dmarc-requ...@jiscmail.ac.uk> wrote:
>
>> Dear Bernhard,
>>
>> Is it an old map ?
>>
>> Back to the old VAX times I had to dump CCP4 maps to ascii map files,
>> then swap bytes from VAX-DOS to Unix before converting them again to a CCP4
>> map format (I think I was using mapman from USF) on a Unix workstation and
>> be able to read them in Frodo-Strasbourg or O.
>>
>> At least you could give it a shot and the ascii map file would help you
>> figuring out the issue by a visual inspection of the header and sections.
>>
>> All the best,
>> Philippe
>>
>> --
>> Philippe BENAS, Ph.D.
>>
>> ARN UPR 9002 CNRS
>> IBMC Strasbourg
>> 2, Allée Konrad Röntgen
>> F-67084 STRASBOURG cedex
>> +33.3.8841.7109
>> E-mails: p.be...@ibmc-cnrs.unistra.fr, philippe_be...@yahoo.fr
>> URLs: http://www-ibmc.u-strasbg.fr/ ,
>> http://www-ibmc.u-strasbg.fr/spip-arn/
>> --
>>
>>
>>
>> Le jeudi 14 mai 2020 à 22:45:09 UTC+2, Bernhard Rupp <
>> hofkristall...@gmail.com> a écrit :
>>
>>
>> Hi Fellows,
>>
>>
>>
>> I am failing on conversion of a ccp4 map to mtz using Sfall
>>
>>
>>
>> I provide as a scale reference a mtz with FP SIGFP and R free
>>
>>
>>
>> All cell constants and SG 20 and map headers seem to agree.
>>
>>
>>
>> But I receive following warning:
>>
>>
>>
>> *** WARNING - your map spacegroup is different to the program default one
>> ***
>>
>>
>>
>> and later
>>
>>
>>
>> >> CCP4 library signal library_file:Cannot open file (Warning)
>>
>> raised in tmpfile() failed, opening normal file instead. <<
>>
>> INPUT X USED AS  X
>>
>> INPUT Y USED AS  Z
>>
>> INPUT Z USED AS  Y
>>
>>
>>
>> Which then leads to the imho - given above- justified complaint:
>>
>>
>>
>> Check map header agrees with fixed requirements for SFcalc for this
>> spacegroup.
>>
>> Check Nxyz 180 200 120180 200 120
>>
>>
>>
>> Check map header agrees with fixed requirements for SFcalc for this
>> spacegroup.
>>
>> Check Iuvw   3   2   1  3   1   2
>>
>> 
>>
>> SFALL:    Fatal disagreement between input info and map header
>>
>>
>>
>> How do I fix this ?
>>
>>
>>
>> In principle all the information is there to do the job…
>>
>>
>>
>> Many thx, BR
>>
>> --
>>
>> Bernhard Rupp
>>
>> Crystallographiae Vindicis Militum Ordo
>>
>> http://www.hofkristallamt.org/
>>
>> b...@hofkristallamt.org
>>
>> +1 925 209 7429
>>
>> +43 676 571 0536
>>
>> --
>>
>> Many plausible ideas vanish
>>
>> at the presence of thought
>>
>> --
>>
>>
>>
>> --
>>
>> To unsubscribe from the CCP4BB list, click the following link:
>> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1
>>
>> --
>>
>> To unsubscribe from the CCP4BB list, click the following link:
>> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1
>>
>
> --
>
> To unsubscribe from the CCP4BB list, click the following link:
> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1
>



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Re: [ccp4bb] Using SFall for map conversion

2020-05-15 Thread Ian Tickle

Hi, that would have to be a very old map!  I remember implementing the
auto-byte swap for VMS (necessary as we had both a Convex C220 running Unix
and a VAX 11/750)!

In fact the Convex was rescued from scrap by Jim Austin and is still
working: http://www.corestore.org/convex.htm

Cheers

-- Ian




Cheers

-- Ian


On Fri, 15 May 2020 at 09:24, Philippe BENAS <
0d88e888355a-dmarc-requ...@jiscmail.ac.uk> wrote:

> Dear Bernhard,
>
> Is it an old map ?
>
> Back to the old VAX times I had to dump CCP4 maps to ascii map files, then
> swap bytes from VAX-DOS to Unix before converting them again to a CCP4 map
> format (I think I was using mapman from USF) on a Unix workstation and be
> able to read them in Frodo-Strasbourg or O.
>
> At least you could give it a shot and the ascii map file would help you
> figuring out the issue by a visual inspection of the header and sections.
>
> All the best,
> Philippe
>
> --
> Philippe BENAS, Ph.D.
>
> ARN UPR 9002 CNRS
> IBMC Strasbourg
> 2, Allée Konrad Röntgen
> F-67084 STRASBOURG cedex
> +33.3.8841.7109
> E-mails: p.be...@ibmc-cnrs.unistra.fr, philippe_be...@yahoo.fr
> URLs: http://www-ibmc.u-strasbg.fr/ ,
> http://www-ibmc.u-strasbg.fr/spip-arn/
> --
>
>
>
> Le jeudi 14 mai 2020 à 22:45:09 UTC+2, Bernhard Rupp <
> hofkristall...@gmail.com> a écrit :
>
>
> Hi Fellows,
>
>
>
> I am failing on conversion of a ccp4 map to mtz using Sfall
>
>
>
> I provide as a scale reference a mtz with FP SIGFP and R free
>
>
>
> All cell constants and SG 20 and map headers seem to agree.
>
>
>
> But I receive following warning:
>
>
>
> *** WARNING - your map spacegroup is different to the program default one
> ***
>
>
>
> and later
>
>
>
> >> CCP4 library signal library_file:Cannot open file (Warning)
>
> raised in tmpfile() failed, opening normal file instead. <<
>
> INPUT X USED AS  X
>
> INPUT Y USED AS  Z
>
> INPUT Z USED AS  Y
>
>
>
> Which then leads to the imho - given above- justified complaint:
>
>
>
> Check map header agrees with fixed requirements for SFcalc for this
> spacegroup.
>
> Check Nxyz 180 200 120180 200 120
>
>
>
> Check map header agrees with fixed requirements for SFcalc for this
> spacegroup.
>
> Check Iuvw   3   2   1  3   1   2
>
> 
>
> SFALL:    Fatal disagreement between input info and map header
>
>
>
> How do I fix this ?
>
>
>
> In principle all the information is there to do the job…
>
>
>
> Many thx, BR
>
> --
>
> Bernhard Rupp
>
> Crystallographiae Vindicis Militum Ordo
>
> http://www.hofkristallamt.org/
>
> b...@hofkristallamt.org
>
> +1 925 209 7429
>
> +43 676 571 0536
>
> --
>
> Many plausible ideas vanish
>
> at the presence of thought
>
> --
>
>
>
> --
>
> To unsubscribe from the CCP4BB list, click the following link:
> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1
>
> --
>
> To unsubscribe from the CCP4BB list, click the following link:
> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1
>



To unsubscribe from the CCP4BB list, click the following link:
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Re: [ccp4bb] Using SFall for map conversion

2020-05-15 Thread Eleanor Dodson

maprot will rewrite your map with a changed axis order, as required for
sfall.
And grateful as I am to see someone still loyal to sfall, 40+ years after
it wa written!, there are more modern tools.
In the CCP4I interace go to
Map & Mask faculities
Clipper Map tools, and there is a map to SFS utility.

Eleanor



On Fri, 15 May 2020 at 09:24, Philippe BENAS <
0d88e888355a-dmarc-requ...@jiscmail.ac.uk> wrote:

> Dear Bernhard,
>
> Is it an old map ?
>
> Back to the old VAX times I had to dump CCP4 maps to ascii map files, then
> swap bytes from VAX-DOS to Unix before converting them again to a CCP4 map
> format (I think I was using mapman from USF) on a Unix workstation and be
> able to read them in Frodo-Strasbourg or O.
>
> At least you could give it a shot and the ascii map file would help you
> figuring out the issue by a visual inspection of the header and sections.
>
> All the best,
> Philippe
>
> --
> Philippe BENAS, Ph.D.
>
> ARN UPR 9002 CNRS
> IBMC Strasbourg
> 2, Allée Konrad Röntgen
> F-67084 STRASBOURG cedex
> +33.3.8841.7109
> E-mails: p.be...@ibmc-cnrs.unistra.fr, philippe_be...@yahoo.fr
> URLs: http://www-ibmc.u-strasbg.fr/ ,
> http://www-ibmc.u-strasbg.fr/spip-arn/
> --
>
>
>
> Le jeudi 14 mai 2020 à 22:45:09 UTC+2, Bernhard Rupp <
> hofkristall...@gmail.com> a écrit :
>
>
> Hi Fellows,
>
>
>
> I am failing on conversion of a ccp4 map to mtz using Sfall
>
>
>
> I provide as a scale reference a mtz with FP SIGFP and R free
>
>
>
> All cell constants and SG 20 and map headers seem to agree.
>
>
>
> But I receive following warning:
>
>
>
> *** WARNING - your map spacegroup is different to the program default one
> ***
>
>
>
> and later
>
>
>
> >> CCP4 library signal library_file:Cannot open file (Warning)
>
> raised in tmpfile() failed, opening normal file instead. <<
>
> INPUT X USED AS  X
>
> INPUT Y USED AS  Z
>
> INPUT Z USED AS  Y
>
>
>
> Which then leads to the imho - given above- justified complaint:
>
>
>
> Check map header agrees with fixed requirements for SFcalc for this
> spacegroup.
>
> Check Nxyz 180 200 120180 200 120
>
>
>
> Check map header agrees with fixed requirements for SFcalc for this
> spacegroup.
>
> Check Iuvw   3   2   1  3   1   2
>
> 
>
> SFALL:    Fatal disagreement between input info and map header
>
>
>
> How do I fix this ?
>
>
>
> In principle all the information is there to do the job…
>
>
>
> Many thx, BR
>
> --
>
> Bernhard Rupp
>
> Crystallographiae Vindicis Militum Ordo
>
> http://www.hofkristallamt.org/
>
> b...@hofkristallamt.org
>
> +1 925 209 7429
>
> +43 676 571 0536
>
> --
>
> Many plausible ideas vanish
>
> at the presence of thought
>
> --
>
>
>
> --
>
> To unsubscribe from the CCP4BB list, click the following link:
> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1
>
> --
>
> To unsubscribe from the CCP4BB list, click the following link:
> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1
>



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Re: [ccp4bb] Using SFall for map conversion

2020-05-15 Thread Philippe BENAS

Dear Bernhard,

Is it an old map ?

Back to the old VAX times I had to dump CCP4 maps to ascii map files, then swap 
bytes from VAX-DOS to Unix before converting them again to a CCP4 map format (I 
think I was using mapman from USF) on a Unix workstation and be able to read 
them in Frodo-Strasbourg or O.

At least you could give it a shot and the ascii map file would help you 
figuring out the issue by a visual inspection of the header and sections.

All the best,
Philippe

Philippe BENAS, Ph.D.

ARN UPR 9002 CNRS
IBMC Strasbourg
2, Allée Konrad Röntgen
F-67084 STRASBOURG cedex
+33.3.8841.7109
E-mails: p.be...@ibmc-cnrs.unistra.fr, philippe_be...@yahoo.fr
URLs:   http://www-ibmc.u-strasbg.fr/ , http://www-ibmc.u-strasbg.fr/spip-arn/

 

Le jeudi 14 mai 2020 à 22:45:09 UTC+2, Bernhard Rupp 
 a écrit :  
 
 
Hi Fellows,

  

I am failing on conversion of a ccp4 map to mtz using Sfall

  

I provide as a scale reference a mtz with FP SIGFP and R free

  

All cell constants and SG 20 and map headers seem to agree.

  

But I receive following warning:

  

*** WARNING - your map spacegroup is different to the program default one ***

  

and later

  

>> CCP4 library signal library_file:Cannot open file (Warning)

    raised in tmpfile() failed, opening normal file instead. <<

    INPUT X USED AS  X

    INPUT Y USED AS  Z

    INPUT Z USED AS  Y

  

Which then leads to the imho - given above- justified complaint:

  

Check map header agrees with fixed requirements for SFcalc for this spacegroup.

Check Nxyz 180 200 120    180 200 120

  

Check map header agrees with fixed requirements for SFcalc for this  spacegroup.

Check Iuvw   3   2   1  3   1   2



SFALL:    Fatal disagreement between input info and map header

  

How do I fix this ? 

  

In principle all the information is there to do the job…

  

Many thx, BR

--

Bernhard Rupp

Crystallographiae Vindicis Militum Ordo

http://www.hofkristallamt.org/

b...@hofkristallamt.org

+1 925 209 7429

+43 676 571 0536

--

Many plausible ideas vanish 

at the presence of thought

--

  
 

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Re: [ccp4bb] Using SFall for map conversion

Re: [ccp4bb] Using SFall for map conversion

Re: [ccp4bb] Using SFall for map conversion

Re: [ccp4bb] Using SFall for map conversion

Re: [ccp4bb] Using SFall for map conversion

Re: [ccp4bb] Using SFall for map conversion

Re: [ccp4bb] Using SFall for map conversion

Re: [ccp4bb] Using SFall for map conversion

Re: [ccp4bb] Using SFall for map conversion

Re: [ccp4bb] Using SFall for map conversion

Re: [ccp4bb] Using SFall for map conversion

Re: [ccp4bb] Using SFall for map conversion

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