[Chimera-users] writing a trajectory to multiple pdbs
Elaine Meng
meng at cgl.ucsf.edu
Tue Feb 16 13:13:20 PST 2010
Hi Dan,
You're right, currently the "save PDB" dialog and "write" commands,
although they do have trajectory-specific options, can only save all
the loaded frames into a single file.
The workaround is to first write the loaded frames of the trajectory
as a single, multi-MODEL file, then read that file back in as a
regular PDB file (instead of as a trajectory). Then the frames will
be loaded as multiple models and you can avail yourself of the multi-
model option in the "save PDB" dialog for saving multiple files.
I hope this helps,
Elaine
-----
Elaine C. Meng, Ph.D.
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco
On Feb 16, 2010, at 12:44 PM, Dan Gurnon wrote:
> Hi everyone,
> How would one write a trajectory read into MD Movie to a series of
> pdb files instead of one large file? I don't see a suitable option
> specified for the "write" command, and for "Save PDB" it seems the
> option of multiple files is only available when multiple models are
> selected.
> Dan
More information about the Chimera-users
mailing list