Re: [ccp4bb] CCP4i on MacPro under Leopard

2008-08-25 Thread William G. Scott
Under 10.5.X, sudo doesn't inherit the environment. So the best thing  
to do is start a root process like this:


/bin/bash

(or /bin/zsh or /bin/tcsh )

source /usr/local/ccp4-6.0.2/include/ccp4.setup-bash

(or whatever it is for your shell)

Then issue ccp4i


William G. Scott

Contact info:
http://chemistry.ucsc.edu/~wgscott/


On Aug 25, 2008, at 6:05 AM, Anita Bentley wrote:

My faithful old Mac G5 siezed up and I have to use a brand new  
MacBook Pro from now on. It's an Intel machine with Leopard.


I managed to install CCP4 together with TLK/BLK programmes. After a  
long while searching for bltwish routines I discovered that they are  
automatically installed in /usr/local/bin and not in /sw/bin as  
suggested in the ccp4 setup files (!). With this problem sorted out,  
I was able to start ccp4i GUI fine.
I get the message that I am the first person to run this  
version ... and should get the right person to configure the  
interface  However, when I try to run ccp4i with sudo in  
order to have the priviledges to configure it, I am unable to run it:


macbookpro-bentley 7% sudo ccp4i
/usr/local/ccp4-6.0.2/bin/ccp4i: line 4: /bltwish: No such file or  
directory
/usr/local/ccp4-6.0.2/bin/ccp4i: line 4: exec: /bltwish: cannot  
execute: No such file or directory


I've modified the  -sh and -csh files (I have a one-line login.com  
to get me under csh as user) to no avail. What do I have to do to be  
able to configure the interface???


The underlying problem is that I cannot run REFMAC in the present  
state of things, I get the following error:

Error from script
/usr/local/ccp4-6.0.2/share/ccp4i/scripts/refmac5.script: can't read  
cell: no such variable
which makes me think the configuration of the interface is not quite  
right.


Any help is greatly appreciated!

Anita




Anita Lewit-Bentley
LBPA
Ecole Normale Supérieure de Cachan
61, avenue du Président Wilson
94235 Cachan cedex
FRANCE

tel: 33-(0)1-47 40 76 65
fax: 33-(0)1 47 40 76 71
e-mail:  [EMAIL PROTECTED]



Re: [ccp4bb] CCP4i on MacPro under Leopard

2008-08-25 Thread Anita Bentley
Thanks a lot for this hint: it works! Including REFMAC, which ran to  
completion and used Arp/Warp to add waters successfully.


Anita
Le 25 août 08 à 16:04, William G. Scott a écrit :

Under 10.5.X, sudo doesn't inherit the environment. So the best  
thing to do is start a root process like this:


/bin/bash

(or /bin/zsh or /bin/tcsh )

source /usr/local/ccp4-6.0.2/include/ccp4.setup-bash

(or whatever it is for your shell)

Then issue ccp4i


William G. Scott

Contact info:
http://chemistry.ucsc.edu/~wgscott/


On Aug 25, 2008, at 6:05 AM, Anita Bentley wrote:

My faithful old Mac G5 siezed up and I have to use a brand new  
MacBook Pro from now on. It's an Intel machine with Leopard.


I managed to install CCP4 together with TLK/BLK programmes. After a  
long while searching for bltwish routines I discovered that they  
are automatically installed in /usr/local/bin and not in /sw/bin as  
suggested in the ccp4 setup files (!). With this problem sorted  
out, I was able to start ccp4i GUI fine.
I get the message that I am the first person to run this  
version ... and should get the right person to configure the  
interface  However, when I try to run ccp4i with sudo in  
order to have the priviledges to configure it, I am unable to run it:


macbookpro-bentley 7% sudo ccp4i
/usr/local/ccp4-6.0.2/bin/ccp4i: line 4: /bltwish: No such file or  
directory
/usr/local/ccp4-6.0.2/bin/ccp4i: line 4: exec: /bltwish: cannot  
execute: No such file or directory


I've modified the  -sh and -csh files (I have a one-line login.com  
to get me under csh as user) to no avail. What do I have to do to  
be able to configure the interface???


The underlying problem is that I cannot run REFMAC in the present  
state of things, I get the following error:

Error from script
/usr/local/ccp4-6.0.2/share/ccp4i/scripts/refmac5.script: can't  
read cell: no such variable
which makes me think the configuration of the interface is not  
quite right.


Any help is greatly appreciated!

Anita




Anita Lewit-Bentley
LBPA
Ecole Normale Supérieure de Cachan
61, avenue du Président Wilson
94235 Cachan cedex
FRANCE

tel: 33-(0)1-47 40 76 65
fax: 33-(0)1 47 40 76 71
e-mail:  [EMAIL PROTECTED]



Re: [ccp4bb] CCP4i on MacPro under Leopard

2008-08-25 Thread William Scott

Glad it worked.

I should have written

sudo /bin/bash

or

sudo /bin/zsh

or

sudo /bin/tcsh

followed by sourcing the appropriate startup script.

However, if I run the tcsh command, I get this error:

limit: stacksize: Can't remove limit (Invalid argument)

oddly, this does not happen with a non-root version of tcsh.  It is  
easier I think just to use /bin/bash or /bin/zsh in this case.



On Aug 25, 2008, at 9:09 AM, Anita Bentley wrote:

Thanks a lot for this hint: it works! Including REFMAC, which ran to  
completion and used Arp/Warp to add waters successfully.


Anita
Le 25 août 08 à 16:04, William G. Scott a écrit :

Under 10.5.X, sudo doesn't inherit the environment. So the best  
thing to do is start a root process like this:


/bin/bash

(or /bin/zsh or /bin/tcsh )

source /usr/local/ccp4-6.0.2/include/ccp4.setup-bash

(or whatever it is for your shell)

Then issue ccp4i


William G. Scott

Contact info:
http://chemistry.ucsc.edu/~wgscott/


On Aug 25, 2008, at 6:05 AM, Anita Bentley wrote:

My faithful old Mac G5 siezed up and I have to use a brand new  
MacBook Pro from now on. It's an Intel machine with Leopard.


I managed to install CCP4 together with TLK/BLK programmes. After  
a long while searching for bltwish routines I discovered that they  
are automatically installed in /usr/local/bin and not in /sw/bin  
as suggested in the ccp4 setup files (!). With this problem sorted  
out, I was able to start ccp4i GUI fine.
I get the message that I am the first person to run this  
version ... and should get the right person to configure the  
interface  However, when I try to run ccp4i with sudo in  
order to have the priviledges to configure it, I am unable to run  
it:


macbookpro-bentley 7% sudo ccp4i
/usr/local/ccp4-6.0.2/bin/ccp4i: line 4: /bltwish: No such file or  
directory
/usr/local/ccp4-6.0.2/bin/ccp4i: line 4: exec: /bltwish: cannot  
execute: No such file or directory


I've modified the  -sh and -csh files (I have a one-line login.com  
to get me under csh as user) to no avail. What do I have to do to  
be able to configure the interface???


The underlying problem is that I cannot run REFMAC in the present  
state of things, I get the following error:

Error from script
/usr/local/ccp4-6.0.2/share/ccp4i/scripts/refmac5.script: can't  
read cell: no such variable
which makes me think the configuration of the interface is not  
quite right.


Any help is greatly appreciated!

Anita




Anita Lewit-Bentley
LBPA
Ecole Normale Supérieure de Cachan
61, avenue du Président Wilson
94235 Cachan cedex
FRANCE

tel: 33-(0)1-47 40 76 65
fax: 33-(0)1 47 40 76 71
e-mail:  [EMAIL PROTECTED]