VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Nov 14 2005 - 11:47:48 CST

Hi,
  VMD 1.8.3 calls the Charmm coordinate file format "COR" to differentiate it
from the AMBER format. At present, the corplugin does not have the ability
to write charmm coordinate files, only to read them.

  John

On Fri, Nov 11, 2005 at 04:49:21PM -0700, Zhen Qin wrote:
> Hi,
> I want to convert a PDB file to CRD format. I loaded the PDB in VMD,
> and save coordinate with file type crd. However, I found the CRD format
> is not the CRD format in CHARMM, which should be like this:
>
> TITLE (a line starting with "*")
> NATOM (I5)
> ATOMNO RESNO RES TYPE X Y Z SEGID RESID Weighting
> I5 I5 1X A4 1X A4 F10.5 F10.5 F10.5 1X A4 1X A4 F10.5
>
> Well, the CRD file generated from VMD has format like this:
> 1X F7.3 1X F7.3 1X F7.3 1X F7.3 ....
> So, that is not what I want. How to convert PDB to a CRD file correctly?
>
> Thanks alot,
>
> Zhen 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
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Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
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