VMD-L Mailing List
From: Wei Chen (gtg553p_at_mail.gatech.edu)
Date: Mon Nov 14 2005 - 11:13:18 CST
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Hi,
The crd files output by VMD are in AMBER form. So you may use CHARMM to do it.
Wei Chen
Quoting Zhen Qin <zhen_at_hec.utah.edu>:
> 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
>
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