On Fri, Nov 07, 2003 at 01:52:42PM +, Tom Walsh wrote:
>
> Hi,
>
> I'm trying to start Pymol (version 0.93) in a Python script,
> using the first method described in __init__.py i.e.:
>
> import pymol
>
> pymol.finish_launching()
>
> I've set the PYTHONPATH and PYMOL_PATH variables as req
I'm trying to programmatically load a PDB-file, using chempy.io.pdb,
then run an energy minimization with tinker. The problem is that the
tinker-wrapper stores files to the tinker xyz-format, which requires
that the numeric_type or text_type attribute is set
correctly. PDB.fromFile() doesn't seem t
On Fri, Oct 17, 2003 at 09:41:24AM -0700, Warren L. DeLano wrote:
> > Truls A. Tangstad wrote:
> > I'm very interested in using alot of the functionality that PyMol
> > offers programmatically from Python, i.e. without using a GUI at
> > all. The chempy package se
I'm very interested in using alot of the functionality that PyMol
offers programmatically from Python, i.e. without using a GUI at
all. The chempy package seems to cover alot of my needs, loading
different file formats etc. even though it doesn't seem to be
documented.
Is it also possible to use t
