[ccp4bb] phaser

2009-06-04 Thread Aaron Alt
Original message: Dear all, When running phaser with ccp4i the program exits with a message saying that the program had a fatal runtime error and that it could not open the mtz file. All other programs I use with ccp4i manage to run without problems. Solution: For some reason there was an old

Re: [ccp4bb] refmac and coot library file creation difficulty

2009-06-04 Thread Paul Emsley
James Murphy wrote: I need to model in tetrachloroaurate molecules into a structure, from our heavy atom soak of Potassium tetrachloroaurate. I created a pdb file by using chemdraw and exporting as an *.sdf and opening in pymol and saving as a *.pdb (attached) The method you used to

[ccp4bb] Rapid Access slot available at LS-CAT at the APS

2009-06-04 Thread Joe Brunzelle
The following slots are available at LS-CAT (sector-21) at the APS Available Rapid Access Data Collection for the Next 21 days Station Start Time Duration (Hours) 21-ID-D Jun 12, 2009 at 10:00 AM CDT 24 21-ID-D Jun 21, 2009 at 10:00 AM CDT 22 21-ID-D Jun 25, 2009 at 10:00 AM CDT 24 21-ID-F Jun

Re: [ccp4bb] ccp4i problem - bad marshal data

2009-06-04 Thread Jan Abendroth
Hi Charles and all, thanks a lot. That did the trick for ccp4i. There still are some marshal-related issues around. a) ccp4i after each job I get a message like this: CreateAnnotatedLogfile: failed for /../7_refmac5.log: Traceback (most recent call last): File

[ccp4bb] CCP4i problem on RHEL5

2009-06-04 Thread Mary Fitzgerald
We have two systems running RHEL5. When you go to enter text in the fields of ccp4i v. 6.0.1 or v5.0.1, nothing happens. We don't have the problem with RHEL4. Any ideas as to what's improperly configured or I need to install. Thanks, Mary Mary X. Fitzgerald Postdoctoral Associate Arnold Lab

Re: [ccp4bb] CCP4i problem on RHEL5

2009-06-04 Thread Ben Eisenbraun
Hello Mary, We have two systems running RHEL5. When you go to enter text in the fields of ccp4i v. 6.0.1 or v5.0.1, nothing happens. We don't have the problem with RHEL4. Any ideas as to what's improperly configured or I need to install. I've seen this happen on RHEL 5 systems before: