VMD-L Mailing List
From: Zhen Qin (zhen_at_hec.utah.edu)
Date: Fri Nov 11 2005 - 17:49:21 CST
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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
- Next message: eladp_at_hplus.tau.ac.il: "Calculating minimal distance between two groups"
- Previous message: Dan Wright: "Re: illegal mouse mode"
- Next in thread: Wei Chen: "Re: convert PDB file to CRD?"
- Reply: Wei Chen: "Re: convert PDB file to CRD?"
- Reply: John Stone: "Re: convert PDB file to CRD?"
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