Rob,
There isn't a public API function which does this at present but
the private _cmd.get_pdb call does exactly that. To see an example of
how it is used, look at the save function in
modules/pymol/exporting.py. I'll add a cmd.get_pdbstr() function to the
next version of PyMOL, since _cmd isn't meant to be called by anyone
except PyMOL.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
ad...@lists.sourceforge.net] On Behalf Of Robert Campbell
Sent: Thursday, September 11, 2003 7:07 AM
To: pymol-users@lists.sourceforge.net
Subject: Re: [PyMOL] alternative method for loading coordinates
Warren,
* Warren L. DeLano war...@delanoscientific.com [2003-09-09 17:42]
wrote:
If you're willing to switch into Python, there is an
undocumented read_pdbstr function which can take a PDB file as a
string variable. See modules/pymol/importing.py for the code.
Temporary files are unnecessary.
This could be very handy, but is there a way to write a pdb string
from
within PyMOL? I've found export_coords, but that creates a PyCObject
and I'm not sure how that can be used. I suppose it needn't be PDB
format, but something that could be used (or converted for use) by
other
programs or user-written routines.
Cheers,
Rob
--
Robert L. Campbell, Ph.D.
r...@post.queensu.ca
Senior Research Associatephone:
613-533-6821
Dept. of Biochemistry, Queen's University, fax:
613-533-2497
Kingston, ON K7L 3N6 Canada
http://adelie.biochem.queensu.ca/~rlc
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