[Chimera-users] pdb format
meng at cgl.ucsf.edu
Mon Feb 27 09:14:50 PST 2006
I am not sure I understand the question. You can save PDB files or
Mol2 files as described in
These are the only formats currently available for writing out
molecular coordinates. Currently there is no way to save MD
trajectories in any of the other MD formats, only as PDB (after playing
all of the frames you want to save, choose File... Save PDB or one of
the other methods described in the man page above and use the setting
to Save "all frames").
I am not sure what you mean by "Chimera format" - there isn't really a
Chimera format for molecular structure, unless you mean a session file,
or perhaps a PDB file written by Chimera. Why not use the original MD
format in the MD program? I am not sure why you want to put the data
through Chimera before going back to the MD program.
I hope this helps,
Elaine C. Meng, Ph.D. meng at cgl.ucsf.edu
UCSF Computer Graphics Lab and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco
On Feb 24, 2006, at 10:03 AM, Batsal Devkota wrote:
> Is it possible to save the pdb file in the same format as we loaded
> into Chimera? This is because the MD program that I am using does not
> recognize Chimera format.
> Any help will be appreciated.
> Batsal Devkota.
> Graduate Student
> Georgia Tech
> Atlanta, GA 30339
> Chimera-users mailing list
> Chimera-users at cgl.ucsf.edu
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