[ccp4bb] sftools and batch mode

[Seth Harris]

Hi all,

I have a heterogeneous collection of mtz files I'm trying to whip into some
kind of standardized vocabulary shape, namely setting column names and
types so that subsequent scripts can sensibly make maps and so forth. I
have set up the ever-useful sftools to do most of this, but of course
sftools scripts rely on one providing a series of answers to questions you
think it is going to ask, and by its own admission it was designed to be
used interactively and includes various "protections" which, also by its
own admission, makes it harder to use it in batch mode... Because it finds
files with interesting columns (e.g. only 1's and 0's) that prompt it to
ask you unexpected questions (e.g. is this an X-plor Rfree column? despite
the "Rfree_flag title and the 5% population of 1's ; ). , for which your
prescribed answers no longer apply (and my log files end up with inane
computer v computer dialogues like "You must answer Y or N! You must answer
Y or N! You must answer...etc.")

So, presumably the number of exceptional cases is finite (though tedious)
and I can just carry on dealing with them one after the other and learn to
be a better coder, but...

My question: is there some way to turn off these protections (i.e. please
just read in the file without question!), or some version of SFTOOLS that
is more batch-friendly about which I'm not yet aware? It would be nice to
have something that can more programmatically interrogate mtz column
headers and respond sensibly rather than this kind of 20 questions you do
when you have to read the header and then parse the names and then ask a
series of "is it Rfree?" "is it CV?" "is it bigger than a breadbox?" type
stuff.

Again, I know the sftools documentation is clear that the design goal was
for interactive use and humans have little trouble with such questions, but
when there might be several thousand of them...

Thanks for any pointers or alternatives!

Seth

[ccp4bb] BCA Spring Meeting in York April 1-4 2015

[Eleanor Dodson]

The BCA meeting is in York this Easter.  We hope to have a good set of
lectures of interest to macro-molecular crystallographers, and also to run
a series of workshops of interest to you when you want a break from
lectures!

Best wishes Eleanor Dodson

Dear Colleagues

You are invited to submit an abstract

for
a talk at the British Crystallographic Association Spring Meeting 2015 in
York (30 March - 2 April) in any of sixteen topical micro-symposia
; a general
hot topic; or the YCG Satellite Meeting.

The deadline for all oral abstract submissions is *next week - 09.00 GMT,
Friday 16 January, 2015*. Decisions on oral presentations will be made by
early February 2015.

More information can be found at the meeting website:
http://york2015.crystallography.org.uk/. If you would like any further
information, please do not hesitate to contact Amy Hill at HG3 Conferences
at amy.h...@hg3.co.uk

[ccp4bb] New Structural Biology/Drug Discovery Postdoctoral Position at the University of Georgia

[Scott Pegan]

Seeking Post-Doctoral candidates for a position in my laboratory located in
the University of Georgia's Department of Pharmaceutical & Biomedical
Sciences.  In this newly added position, the individual will assist in my
ongoing USDA funded infectious disease related projects that involve the
use of structural biology (X-ray) as well as other drug discovery and
biophysical techniques. My laboratory, and UGA at large, possesses
significant Structural Biology resources including a home source,
crystallization robotics, liquid handling robots and regular access to the
SER-CAT at APS. More information on my laboratory can be found at:
http://pbs.rx.uga.edu/index.php/people/faculty/scott_pegan/

Recent graduates encouraged. X-ray experience a plus as well as having a
first, or second author publication. Ideal start date would be as early as
February 1st. Interested parties please send a single PDF file with your
CV, with publication list included, and a minimum of contact information
for two references.  Please submit to spe...@uga.edu.

Re: [ccp4bb] Crystallization issue

[Pankaj Chauhan]

Hi,

I got this kind of drop many times with PEG and MPD conditions. It will be
very interesting to study this.

Pankaj


On Tue, Jan 6, 2015 at 7:30 AM, Hargreaves, David <
david.hargrea...@astrazeneca.com> wrote:

>  On the face of it, I wouldn’t get overly excited by the drop. However,
> I’ve been underwhelmed and wrong before. If you’ve got access to a
> synchrotron beamline that can shoot the material in-situ it might be a good
> experiment to try.
>
> Best of luck,
>
> Dave
>
>
>
> *Dr. David Hargreaves*
>
> Associate Principal Scientist
>
> _
>
> AstraZeneca
>
> Discovery Sciences, Structure & Biophysics
>
> Dr David Hargreaves.
>
> OfficeR1-09/Lab FL54
>
> AstraZeneca Darwin Building
>
> Unit 310
>
> Cambridge Science Park
>
> Milton Road
>
> Cambridge
>
> CB4 0WG
>
>
>
> telephone: +441223223546
>
> mobile: 07525 742054
>
>
>
> David.Hargreaves @astrazeneca.com 
>
>
>
> Please consider the environment before printing this e-mail
>
>
>
> *From:* CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] *On Behalf Of *P
> Silva
> *Sent:* 05 January 2015 19:12
> *To:* CCP4BB@JISCMAIL.AC.UK
> *Subject:* [ccp4bb] Crystallization issue
>
>
>
> Hi everyone,
>
>
>
> Sorry for the non related crystallization question. In a crystallization
> screening (20ºC) I got in 70% of the drops some fibrils/gel (see figure
> below) which I do not know how to interpret. Has anyone got the same kind
> of behavior in crystallization screenings? It could be related with the
> stability of the protein (salt concentration, pH,...)?
>
> The buffer of the protein is 20mM Tris pH 7.5, 150mM NaCl.
>
>
>
> Thanks in advance
>   --
>
> AstraZeneca UK Limited is a company incorporated in England and Wales with
> registered number: 03674842 and a registered office at 2 Kingdom Street,
> London, W2 6BD.
>
> *Confidentiality Notice: *This message is private and may contain
> confidential, proprietary and legally privileged information. If you have
> received this message in error, please notify us and remove it from your
> system and note that you must not copy, distribute or take any action in
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-- 

Pankaj Kumar, PhD

Gyanu Lemichhane lab 
Centre for Tuberculosis Research Lab
Department of Infectious Disease
Johns Hopkins University School of Medicine
725 N. Wolfe St.
Baltimore, MD 21205-2185
Lab phone: (410) 955-3967

pkuma...@jhmi.edu
pkuma...@commsmail.johnshopkins.edu
http://pankajimtech.webs.com

[ccp4bb] Master/Diploma thesis internship available at EMBL, Grenoble

[Daniel Panne]

The laboratory: The Panne lab at EMBL-Grenoble focuses on studying the 
structural basis of large multi-protein assemblies. We mainly focus on 
understanding the protein complexes involved in epigenetic gene/chromatin 
regulation and innate immune signaling. For more details on the research themes 
and publications, see http://www.embl.fr/research/unit/panne/ 



The role: We are seeking to recruit a highly motivated and talented 
Masters/Diploma student interested in performing her/his final thesis project 
in our lab for up to 12 months, starting from March 2015. The applicant is 
expected to have a strong back ground in Biochemistry, Molecular Biology with 
an interest in protein chemistry and structural biology. The prospective 
student will have an unique opportunity to perform research at the state of the 
art facility for structural and molecular biology at EMBL-Grenoble. The 
institute boasts a standardized high throughput protein expression (E. coli and 
insect cells) and crystallization facility. EMBL-Grenoble is strategically 
located on the same campus as the European Synchrotron Research Facility 
(ESRF), Institut Laue-Langevin (ILL) and Institut de Biologie Structurale 
(IBS). The efficiently established Partnership for Structural Biology (PSB: 
http://www.psb-grenoble.eu/ ) between these 
institutes follows an open-door policy, promoting collaborative research.

EMBL-Grenoble employs researchers including PhD students and postdoctoral 
fellows from 25 different nationalities. Candidates with a motivation to work 
in a multidisciplinary and international environment are encouraged to apply. 
The selected candidate will obtain a contribution towards housing and 
subsistence during her/his time at EMBL. The picturesque and student friendly 
city of Grenoble on the foot hills of French-Alps teems with activity for those 
interested in winter sports, mountaineering, hiking and photography.

Application Instructions: To apply, please send a CV with a letter of 
motivation to pa...@embl.fr  till the 15th of February, 
2015.

[ccp4bb] Postdoctoral position, University of St Andrews, Scotland

[Amanda Jarvis]

Dear All,

We seek to recruit a highly motivated individual for an EU-funded Research 
Fellowship position to work with Professor Paul Kamer's group.

You will investigate the ‘de novo’ design of transition metalloenzymes, by 
functionalising proteins with nitrogen ligands and binding them to late 
transition metals. Adjusting the structures of the biomolecule and the nitrogen 
ligand will optimise the catalytic performance of these artificial enzymes. 
This is an EU funded project, as part of the Marie Curie ITN ‘SuBiCat’. We aim 
to apply techniques from homogeneous catalysis, organic and organometallic 
chemistry, biological chemistry and molecular biology to optimise the catalytic 
performance of artificial metalloenzymes in selective oxidation catalysis for 
lignin degradation.

In addition, the successful candidate will participate in the network’s 
training activities and work placements at the laboratories of the 
participating scientific teams and industrial. Regular meetings and workshops 
within the EU-funded SuBiCat International Training Network (ITN) will 
supplement the training and support provided at the University of St Andrews.

You will be required to hold a PhD in Molecular biology or biochemistry. The 
post is fixed term initially for one year, with the possibility of extension 
for a further year, and will start as soon as possible.
Please be aware of the general Marie-Curie mobility criteria. The applicant 
cannot have spent more than twelve months in the UK in the last three years 
prior to the appointment.

Informal enquiries can be directed to:  Paul Kamer, Tel. (+44)1334 467285, 
email p...@st-andrews.ac.uk

Fixed Term Post for one year in the first instance, with possible extension for 
a second year.
Closing Date: 9 January 2015   Interview 
Date: Early February 2015

We encourage applicants to apply online at 
https://www.vacancies.st-andrews.ac.uk/welcome.aspx  however if you are unable 
to do this, please call +44 (0)1334 462571 for an application pack.

Please quote ref:  SB1592

Best wishes,
Amanda Jarvis posting on behalf of Professor Paul Kamer

Re: [ccp4bb] Some advices on model modification

[Roger Rowlett]

How you approach this will depend substantially on the sequence identity 
between your target and your potential MR models. Definitely remove all 
non-protein atoms from your search model, as these are not likely at all 
to be present, or present at these positions, in your target. In 
addition to using a program like Chainsaw to truncate your model, you 
might also consider using models truncated at the N- or C-terminus (if 
these are relatively mobile or ill-defined), or consider searching with 
multimers (e.g., dimers) for targets that are homo-oligomers with 
expected quaternary structure symmetry. For difficult targets in which 
there were significant gaps and insertions in the target compared to the 
available search models, we used homology-based protein folding 
prediction (e.g., Phyre) to prepare search models. For marginal models, 
it is possible to get a reasonable crude solution using MR, followed by 
density modification and autobuilding to trace a better solution (e.g. 
PARROT & BUCCANEER), especially if you have NCS in your target. This 
worked really nicely for us for 3UAO, where search models had 30% or 
less identity.


Cheers,

___
Roger S. Rowlett
Gordon & Dorothy Kline Professor
Department of Chemistry
Colgate University
13 Oak Drive
Hamilton, NY 13346

tel: (315)-228-7245
ofc: (315)-228-7395
fax: (315)-228-7935
email: rrowl...@colgate.edu

On 1/6/2015 8:41 AM, vellieux wrote:

Hello,

Keeping the waters in a model used for molecular replacement search is 
not a very good idea.


I'd suggest first that you use a program like Chainsaw and possibly 
additional programs to fine-tune your search model to the problem that 
you are trying to solve.


Also, reading material such as the ccp4 study weekend proceedings 
devoted to molecular replacement and similar material (that are 
available on the internet) would be a good idea as well. The problems 
you are encountering have been discussed in the literature.


Fred.


On 06/01/15 13:06, allen price wrote:


Dear all:

I got a dataset at 2.8 angstron. I have tried several ways such as 
phaser, MRBUMP,BALBES,but still can't solve the


data,which means I have to edit my model. Maybe I'd better cut it off 
or delete the water or loop. I really have no


idea,as it is my first time to do such things, I alway used the whole 
model to mr. Could anyone give me some advice?


what kind  of software do you guys use? really need you help!

Best regards,

Allen



--
Fred. Vellieux (B.Sc., Ph.D., hdr)

IBS / ELMA
Campus EPN
71 avenue des Martyrs
CS 10090
F-38044 Grenoble Cedex 9
Tel: +33 457428605
Fax: +33 476501890

Re: [ccp4bb] Some advices on model modification

[vellieux]

Hello,

Keeping the waters in a model used for molecular replacement search is 
not a very good idea.


I'd suggest first that you use a program like Chainsaw and possibly 
additional programs to fine-tune your search model to the problem that 
you are trying to solve.


Also, reading material such as the ccp4 study weekend proceedings 
devoted to molecular replacement and similar material (that are 
available on the internet) would be a good idea as well. The problems 
you are encountering have been discussed in the literature.


Fred.


On 06/01/15 13:06, allen price wrote:


Dear all:

I got a dataset at 2.8 angstron. I have tried several ways such as 
phaser, MRBUMP,BALBES,but still can't solve the


data,which means I have to edit my model. Maybe I'd better cut it off 
or delete the water or loop. I really have no


idea,as it is my first time to do such things, I alway used the whole 
model to mr. Could anyone give me some advice?


what kind  of software do you guys use? really need you help!

Best regards,

Allen



--
Fred. Vellieux (B.Sc., Ph.D., hdr)

IBS / ELMA
Campus EPN
71 avenue des Martyrs
CS 10090
F-38044 Grenoble Cedex 9
Tel: +33 457428605
Fax: +33 476501890

Re: [ccp4bb] Crystallization issue

[Hargreaves, David]

On the face of it, I wouldn’t get overly excited by the drop. However, I’ve 
been underwhelmed and wrong before. If you’ve got access to a synchrotron 
beamline that can shoot the material in-situ it might be a good experiment to 
try.
Best of luck,
Dave

Dr. David Hargreaves
Associate Principal Scientist
_
AstraZeneca
Discovery Sciences, Structure & Biophysics
Dr David Hargreaves.
OfficeR1-09/Lab FL54
AstraZeneca Darwin Building
Unit 310
Cambridge Science Park
Milton Road
Cambridge
CB4 0WG

telephone: +441223223546
mobile: 07525 742054

David.Hargreaves @astrazeneca.com

Please consider the environment before printing this e-mail

From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of P Silva
Sent: 05 January 2015 19:12
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Crystallization issue

Hi everyone,

Sorry for the non related crystallization question. In a crystallization 
screening (20ºC) I got in 70% of the drops some fibrils/gel (see figure below) 
which I do not know how to interpret. Has anyone got the same kind of behavior 
in crystallization screenings? It could be related with the stability of the 
protein (salt concentration, pH,...)?
The buffer of the protein is 20mM Tris pH 7.5, 150mM NaCl.

Thanks in advance


AstraZeneca UK Limited is a company incorporated in England and Wales with 
registered number: 03674842 and a registered office at 2 Kingdom Street, 
London, W2 6BD.

Confidentiality Notice: This message is private and may contain confidential, 
proprietary and legally privileged information. If you have received this 
message in error, please notify us and remove it from your system and note that 
you must not copy, distribute or take any action in reliance on it. Any 
unauthorised use or disclosure of the contents of this message is not permitted 
and may be unlawful.

Disclaimer: Email messages may be subject to delays, interception, non-delivery 
and unauthorised alterations. Therefore, information expressed in this message 
is not given or endorsed by AstraZeneca UK Limited unless otherwise notified by 
an authorised representative independent of this message. No contractual 
relationship is created by this message by any person unless specifically 
indicated by agreement in writing other than email.

Monitoring: AstraZeneca UK Limited may monitor email traffic data and content 
for the purposes of the prevention and detection of crime, ensuring the 
security of our computer systems and checking compliance with our Code of 
Conduct and policies.

[ccp4bb] Some advices on model modification

[allen price]

Dear all:
I got a dataset at 2.8 angstron. I have tried several ways such as phaser, 
MRBUMP,BALBES,but still can't solve the 
data,which means I have to edit my model. Maybe I'd better cut it off or delete 
the water or loop. I really have no 
idea,as it is my first time to do such things, I alway used the whole model to 
mr. Could anyone give me some advice? 
what kind  of software do you guys use? really need you help!
Best regards,
Allen

Re: [ccp4bb] Question on Refmac5

[Laurent Maveyraud]

Dear Dialing,

have you any specific reasons to believe that the crated PDB file does 
not correspond to the refined model ? This could be easily checked by 
comparing the statistics written in the header of the PDB file and those 
at the end of the refmac logfile. If they do not differ, then your PDB 
file should be correct.


Laurent

Le 06/01/2015 11:46, Tim Gruene a écrit :

Dear Dialing,

unless this has changed recently, in my experience refmac5 writes the
PDB and MTZ file only at the end of refinement, not intermediately.

Have you ruled out this is an issue with your operating system or file
system setup? Maybe the timestamp is messed up e.g. through an NFS system?

What is your operating system, what file system are you running the
refinement on?

Regards,
Tim

On 01/06/2015 04:16 AM, Dialing Pretty wrote:

I am talking the "creating date". For my situation, once the PDB file and mtz 
file were created at around 6:00 pm, with the progression of the refinement and completed 
at 8:00 pm, the date shown in the directory folder is always 6:00 pm. After 8:00 pm when 
the refinement finished, I check the property of the PDB file and MTZ file, I find the  
modify  time (should be by Refmac5) is only several seconds after the created time and 
the visited time, and the created time and the visited time are same.
Clearly I cannot get the expected PDB file and the MTZ file after 2 hours 
refinement. Is any bug in my CCP4? Or there is something I do not understand?

Dialing


  On Tuesday, 6 January 2015, 10:10, CHAVAS Leonard  
wrote:


  Dear Dialing
are you talking about the 'creating date' or the 'modified date'?
Leo

On Jan 6, 2015, at 2:55 AM, Dialing Pretty 
<03f1d08ed29c-dmarc-requ...@jiscmail.ac.uk> wrote:
Dear All,
When I run Refmac, it would produce a refined PDB file and mtz file. My 
question is, if I started the refinement at 6:00 pm and completed at 8:00 pm, I 
find the refined PDB file and mtz file were created in the target directory at 
perhaps 6:30 pm. I think from 6:30 pm the created PDB file and mtz file in the 
target directory would be automatically updated to 8: 00 pm when the refinement 
finished, am I right?
Dialing









--
--
Laurent Maveyraud laurent.maveyraud AT ipbs DOT fr
P I C T   ---  Plateforme Intégrée de Criblage de Toulouse
Université  Paul  Sabatier /  CNRS  /  I.P.B.S.  UMR  5089
Département BiologieStructurale   et   Biophysique
http://cribligand.ipbs.fr   http://www.ipbs.fr
205 route de Narbonne  31077 TOULOUSE Cedex FRANCE
Tél: +33 (0)561 175 435   Fax : +33 (0)561 175 994
--

Re: [ccp4bb] .raw file from SAINT to pointless

[Tim Gruene]

Dear Georg,

the option [y] in xprep from where you also get the data statistics
prints the CC of your data set and also of two data sets if available.
You can write it to a postscript file - in case you want the numbers for
any reason you can read the postscript file as it is only a text file.

You could also convert the sfrm-file to mar-format and use XDS to
process your data ;-) The program sfrmtools (send me an email to get a
copy) converts the header information into the relevant XDS keywords
including the geometry description of your setup.

Regards,
Tim

On 01/06/2015 01:41 AM, Georg Mlynek wrote:
> Dear George and Phil, thanks a lot for the fast answers. Things are 
> unfortunately a bit more complicated and the usually very convenient way 
> using SAINT-SADABS-XPREP has too much limitations for this datasets because
> 
> 1. It starts with that one datasets has more than 2.000.000 reflections 
> (space group P1, high redundancy and high resolution), so I already have to 
> split the initial datasets in two. (SADABS can just process 2.000.000 
> reflections, probably something archaic from old days, when computers were 
> not so fast?) 
> 
> 2. I can then of course combine them with xprep but the XPREP (version 
> 2014/2) writes out just merged .sca file. Other formats hkl4, hkl3 are 
> unmerged but can be just used with the command line version of xtriage and 
> phenix merging statistics (which is a part of the phenix suite and needs 
> additional inputs (spacegroup). However as aimless writes out all the 
> statistics too, it is not necessary to run these phenix programs anyhow.
> 
> Thank you both of you again, for the great programs and support.
> @Phil I will send you the SAINT manual and a small raw file offlist.
> @George can I write out unmerged .sca files from xprep and does it also print 
> out CC*?
> 
> (Of course I always use the latest ccp4, but I hoped the old one might work 
> in my case).
> 

-- 
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen

GPG Key ID = A46BEE1A



signature.asc
Description: OpenPGP digital signature

Re: [ccp4bb] Question on Refmac5

[Tim Gruene]

Dear Dialing,

unless this has changed recently, in my experience refmac5 writes the
PDB and MTZ file only at the end of refinement, not intermediately.

Have you ruled out this is an issue with your operating system or file
system setup? Maybe the timestamp is messed up e.g. through an NFS system?

What is your operating system, what file system are you running the
refinement on?

Regards,
Tim

On 01/06/2015 04:16 AM, Dialing Pretty wrote:
> I am talking the "creating date". For my situation, once the PDB file and mtz 
> file were created at around 6:00 pm, with the progression of the refinement 
> and completed at 8:00 pm, the date shown in the directory folder is always 
> 6:00 pm. After 8:00 pm when the refinement finished, I check the property of 
> the PDB file and MTZ file, I find the  modify  time (should be by Refmac5) is 
> only several seconds after the created time and the visited time, and the 
> created time and the visited time are same.
> Clearly I cannot get the expected PDB file and the MTZ file after 2 hours 
> refinement. Is any bug in my CCP4? Or there is something I do not understand?
> 
> Dialing
>  
> 
>  On Tuesday, 6 January 2015, 10:10, CHAVAS Leonard 
>  wrote:
>
> 
>  Dear Dialing
> are you talking about the 'creating date' or the 'modified date'?
> Leo
> 
> On Jan 6, 2015, at 2:55 AM, Dialing Pretty 
> <03f1d08ed29c-dmarc-requ...@jiscmail.ac.uk> wrote:
> Dear All,
> When I run Refmac, it would produce a refined PDB file and mtz file. My 
> question is, if I started the refinement at 6:00 pm and completed at 8:00 pm, 
> I find the refined PDB file and mtz file were created in the target directory 
> at perhaps 6:30 pm. I think from 6:30 pm the created PDB file and mtz file in 
> the target directory would be automatically updated to 8: 00 pm when the 
> refinement finished, am I right?
> Dialing
> 
> 
> 
>
> 

-- 
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen

GPG Key ID = A46BEE1A



signature.asc
Description: OpenPGP digital signature

Re: [ccp4bb] .raw file from SAINT to pointless

[George Sheldrick]

Dear Georg,

When you start SADABS, the first question is whether you rquire 'expert 
mode'. This mode asks more questions to set additional parameters. If 
you select expert mode, the second question is the maximum number of 
reflections. 200 is merely the default value. I would be interested 
to hear which important 'merging statistics' are output by Phenix but 
not SADABS+XPREP.


Best wishes, George


On 01/06/2015 01:41 AM, Georg Mlynek wrote:

Dear George and Phil, thanks a lot for the fast answers. Things are 
unfortunately a bit more complicated and the usually very convenient way using 
SAINT-SADABS-XPREP has too much limitations for this datasets because

1. It starts with that one datasets has more than 2.000.000 reflections (space 
group P1, high redundancy and high resolution), so I already have to split the 
initial datasets in two. (SADABS can just process 2.000.000 reflections, 
probably something archaic from old days, when computers were not so fast?)

2. I can then of course combine them with xprep but the XPREP (version 2014/2) 
writes out just merged .sca file. Other formats hkl4, hkl3 are unmerged but can 
be just used with the command line version of xtriage and phenix merging 
statistics (which is a part of the phenix suite and needs additional inputs 
(spacegroup). However as aimless writes out all the statistics too, it is not 
necessary to run these phenix programs anyhow.

Thank you both of you again, for the great programs and support.
@Phil I will send you the SAINT manual and a small raw file offlist.
@George can I write out unmerged .sca files from xprep and does it also print 
out CC*?

(Of course I always use the latest ccp4, but I hoped the old one might work in 
my case).




--
Prof. George M. Sheldrick FRS
Dept. Structural Chemistry,
University of Goettingen,
Tammannstr. 4,
D37077 Goettingen, Germany
Tel. +49-551-39-33021 or -33068
Fax. +49-551-39-22582