From: Andrea Spitaleri <andrea.spitaleri@gm...> - 2004-12-28 11:31:56
sometimes I enjoy coding in Python and Perl. I am having fun to add to
Perlmol a module for reading a my own extension file (*.nmr)
I would like to do the same with Python. Is there any tutorial where
it is explained how to add a new extension file in pymol? I mean, how
to make a script for reading a particular file.
All the best
Adding a new file extension to PyMOL isn't easy -- unless you can convert
your molecule into something PyMOL already understands, it will take coding
at the C level.
What kind of content do ".nmr" file contain? If this is simply a matter of
visualizing NMR restraints, then it would be possible to write a Python
program that reads the .nmr files, converts them to raw PyMOL geometries
(CGOs), and loads them as a CGO object.
Warren L. DeLano, Ph.D.
. DeLano Scientific LLC
. 400 Oyster Point Blvd., Suite 213
. South San Francisco, CA 94080
. Biz:(650)-872-0942 Tech:(650)-872-0834
. Fax:(650)-872-0273 Cell:(650)-346-1154
> -----Original Message-----
> From: pymol-users-admin@...
> [mailto:pymol-users-admin@...] On Behalf Of
> Andrea Spitaleri
> Sent: Tuesday, December 28, 2004 3:32 AM
> To: pymol-users@...
> Subject: [PyMOL] new ext file
> sometimes I enjoy coding in Python and Perl. I am having fun
> to add to Perlmol a module for reading a my own extension
> file (*.nmr) I would like to do the same with Python. Is
> there any tutorial where it is explained how to add a new
> extension file in pymol? I mean, how to make a script for
> reading a particular file.
> All the best
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