VMD-L Mailing List

From: Zhen Qin (zhen_at_hec.utah.edu)
Date: Fri Nov 11 2005 - 17:49:21 CST

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