Re: [ccp4bb] PDB SEGID Case Sensitivity

2010-02-04 Thread Vellieux Frederic
James Stroud wrote: 1. Gee, I thought that it was specified to be case sensitive. 2. Well, someone once told me that it was specified to be case insensitive but I can't remember who that was. 3. I thought it was specified to be something too but most programs largely ignore

Re: [ccp4bb] PDB SEGID Case Sensitivity

2010-02-04 Thread Robbie Joosten
, stick to the set you proposed (0-9, A-Z). That way it is more likely that other programs support your SEGIDs. Cheers, Robbie Date: Wed, 3 Feb 2010 16:15:54 -0800 From: merr...@u.washington.edu Subject: Re: [ccp4bb] PDB SEGID Case Sensitivity

Re: [ccp4bb] PDB SEGID Case Sensitivity [OT]

2010-02-04 Thread Robbie Joosten
Hi Fred, PS And what I find really annoying is the atom type specified in columns 77-78, since the information is already present in the same line, as CA, N, HG etc. Sometimes I just forget to check what's present in these 2 columns and I have problems with some programs that refuse to run.

[ccp4bb] PDB SEGID Case Sensitivity

2010-02-03 Thread James Stroud
Hello All, In typically comical fashion, the PDB specification 3.2 at http://www.wwpdb.org/documentation/format32/sect9.html leaves out columns 67-76 for ATOM and HETATM records. Since I can only conclude that SEGIDs must be one of those grey areas, I thought I'd make a multiple choice

Re: [ccp4bb] PDB SEGID Case Sensitivity

2010-02-03 Thread Ethan Merritt
On Wednesday 03 February 2010 15:59:26 James Stroud wrote: Hello All, In typically comical fashion, the PDB specification 3.2 at http://www.wwpdb.org/documentation/format32/sect9.html leaves out columns 67-76 for ATOM and HETATM records. Since I can only conclude that SEGIDs must be

Re: [ccp4bb] PDB SEGID Case Sensitivity

2010-02-03 Thread James Stroud
On Feb 3, 2010, at 4:15 PM, Ethan Merritt wrote: So far as I know, the PDB/RCSB folks do not even look at these columns. So it comes down to a question of individual non-PDB programs. Which program were you wondering about? I guess the big ones, CCP4, CNS, coot, O, pymol, phenix,