Hello, all.
Is there any chempy documentation available? I've searched the web for
a while, but couldn't find anything relevant. Do PyMol subscribers
have access to extra documentation?
Thank you
Hi everybody,
i install pymol via svn ebuild (attached). It crashes with a segfault but only
if i am inside my home directory. If i am outside, everything works fine.
Any ideas what this could be related to?
OpenGL graphics engine:
GL_VENDOR: NVIDIA Corporation
GL_RENDERER: GeForce
Bgbg,
The idea behind chempy was that it could eventually be developed into a
Python-based chemical informatics library. In practice, however, its
capabilites and performace are quite limited and so it mainly just exists
for use by PyMOL. No, there is no documentation for chempy other than the
PyMOL may somehow be importing a conflicting .py or .so.
Is . in your path? It may be in PyMOL's default sys.path...hmm...
Also note that
${PYMOL_PATH}/__init__.py $*
is better as
${PYMOL_PATH}/__init__.py $@
Cheers,
DeLano Scientific LLC
Email Support Services
-Original
i install pymol via svn ebuild (attached). It crashes with a segfault but
only
if i am inside my home directory. If i am outside, everything works fine.
Any ideas what this could be related to?
This may be a long-shot, but do you have any python scripts in your home
directory? If so,
Hi,
Frowns is another Python-based chemical informatics library, but is no more
maintained. A great idea would be to initiate such project. We could based
the design on the CDK library (http://cdk.sourceforge.net/).
Comments or suggestions ?
Cheers,
Jerome Pansanel
Le lundi 20 novembre
CDK is too Java-centric in my view, and I'll be the first to admit that
Python is much too slow for cheminformatics.
My preference would be for a fast, clean, back-end cheminformatics library
with a simple C API that could be exposed to and interporate with Python,
Java, C, C++, SQL, and .NET.
My preference would be for something implemented in
Python/C. The project could start with a clean,
extensible (it should be easy to add new molecules)
and modular Python library and then start replacing
some functions with C equivalents. I would like a
library that doesn't use inheritance, or use
