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

- Protein crystallography

Main steps:

- Protein purification
- Crystallisation

Special:

- Programs for crystallography
- X-ray detectors

Basic tutorials:

   - Chemistry
   - Protein
   - Peptide
   - Amino Acids

Xtal community:

- CCP4BB

CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: PDB SEGID Case Sensitivity
From: Robbie Joosten robbie_joosten {- at -} HOTMAIL {- dot -} COM
Date: 2010-02-04

Next message:
Subject: Scientific programmer to work on iMosflm at MRC LMB, Cambridge UK
From: A Leslie andrew {- at -} MRC-LMB {- dot -} CAM {- dot -} AC {- dot -} UK
Date: 2010-02-04

Subject: Re: PDB SEGID Case Sensitivity [OT]
From: Robbie Joosten robbie_joosten {- at -} HOTMAIL {- dot -} COM
Date: 2010-02-04

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.
The atomid columns cannot be trusted, especially in (new) hetero compounds. When you try to auto-generate restraints, you need a clear description of the chemical elements involved.
Hydrogens are another problem because every other (NMR) program had another 'standard' for hydrogen names. Column 77-78 is much more reliable because there is only one type of information in there. Lets just hope nobody tries to use ununtrium for phasing.

Cheers,
Robbie
_________________________________________________________________
New Windows 7: Simplify what you do everyday. Find the right PC for you.
http://windows.microsoft.com/shop

CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: PDB SEGID Case Sensitivity
From: Robbie Joosten robbie_joosten {- at -} HOTMAIL {- dot -} COM
Date: 2010-02-04

Next message:
Subject: Scientific programmer to work on iMosflm at MRC LMB, Cambridge UK
From: A Leslie andrew {- at -} MRC-LMB {- dot -} CAM {- dot -} AC {- dot -} UK
Date: 2010-02-04