VMD-L Mailing List

From: Vadim Patsalo (patsalov_at_gmail.com)
Date: Tue Sep 27 2011 - 21:08:31 CDT

Hello VMD mailing list,

I am a CHARMM user. I find myself having to constantly type:

    vmd -cor X.crd -cor Y.crd -cor Z.crd

when trying to load multiple CHARMM CRDs into the same molecule. I would like to overwrite the default VMD behavior of associating the .crd file extension with the Amber7 CRD plugin, and instead associate it with the COR plugin.

I've attempted to create a symbolic link from crdplugin.so to corplugin.so in
    /Applications/VMD\ 1.9.app/Contents/vmd/plugins/MACOSXX86/molfile/ (Mac OS X)

However, this does nothing. It doesn't appear that VMD uses the dynamic libraries inside ../molfile/, and is even able to recognize .crd files as Amber7 CRD when the crdplugin.so file is moved.

Is there a way to correct this behavior at startup inside .vmdrc? I am open to other hackety suggestions. One possibility is to write a wrapper script which takes as input "vmd A.crd B.crd C.crd" and runs the system command "vmd -cor A.crd -cor B.crd -cor C.crd", I suppose. Renaming the files to .cor is not a real option for me.

Thanks in advance!
Vadim