[ccp4bb] Molrep - Fortran runtime errors

2012-02-23 Thread Jason Porta
When using a multi-copy search/fitting two models in Molrep, I encounter a fortran runtime error. This happens at the stage where the second model is being read in. I see that there are some previous posts concerning this. I did try using a different version (as previous posters reported working

[ccp4bb] Dyndom errors

2011-10-20 Thread Jason Porta
sion, but get a segmentation fault error, and the program won't advance. Has anyone else encountered these errors? Perhaps the server is under maintenance? Any help is greatly appreciated! Best, jason porta

[ccp4bb] Fixing cis peptides

2011-10-18 Thread Jason Porta
Hi everybody, I am currently refining a 2.2 A crystal structure with a very mobile subdomain. The initial density for this subdomain was very weak, however, I was able to rebuild it using low resolution omit maps (and some perturbing of atomic coordinates). When I refine the structure, four of

[ccp4bb] Error in LABIN

2011-04-28 Thread Jason Porta
): Error in label assignments in LABIN In a previous post, it was suggested that the the tcl/tk location may need to be changed in ccp4.setup, though I check this and it is pointing to the right directory. Any suggestions? Jason Porta

[ccp4bb] Grouped B-factors in Refmac5

2010-04-02 Thread Jason Porta
simultaneously refine TLS groups. Any help and/or insight is appreciated. Best regards, Jason Porta Graduate Student Dept. Biochemistry & Molecular Biology University of Nebraska Medical Center Omaha, NE 68198 402-559-5533

[ccp4bb] Calculating R-merge between 2 mtz files.

2009-12-16 Thread Jason Porta
Hi everybody, I would like to take two mtz files (which are very similar) and calculate the R-merge between them. I tried looking into CCP4 and Phenix, but could not find a direct path. Does anybody know how I can do this R-merge calculation? Best regards, Jason Porta

[ccp4bb] Refining residues as rigid bodies

2009-12-01 Thread Jason Porta
residues total). Preferably, I would carry out the refinement in Refmac5, but any advice pertaining to any program would be greatly appreciated. Thanks in advance for any help. Jason Porta Graduate Student Eppley Structural Biology Facility Dept. Biochemistry & Molecular Biology Universit

[ccp4bb] Manipulating electron density

2009-05-09 Thread Jason Porta
appreciated. Jason Porta Graduate Student Dept. Biochemistry & Molecular Biology University of Nebraska Medical Center Omaha, NE 68198