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 Associate phone: 613-533-6821 > Dept. of Biochemistry, Queen's University, fax: 613-533-2497 > Kingston, ON K7L 3N6 Canada http://adelie.biochem.queensu.ca/~rlc > PGP Fingerprint: 9B49 3D3F A489 05DC B35C 8E33 F238 A8F5 F635 C0E2