cctbx is cool in principle, but I would be very happy to know how to
use it with a pre-existing python like most other packages are capable
of. I'm starting to lose patience reverse-engineering the install
scripts to figure out how to do it. I can't seem to find instructions
on the web page.
What am I missing? Is it that I must migrate my entire python
environment to cctbx.python? Isn't it better to add cctbx to a current
environment rather than the other way around? If every package
required the user's migrating his python environment to the package's
environment, then we wouldn't be able to use more than one package
with a given python install.
It seems ridiculous.
It doesn't make sense, so I must be missing something fundamental. I
think this is the reason I have never used cctbx before. I last tried
about 4 years and I thought that it was because the package was
immature.
James
On Apr 24, 2010, at 7:16 PM, Peter Zwart wrote:
cctbx?
2010/4/24 James Stroud <xtald...@gmail.com>:
Hello All,
I want to programmatically generate the symmetry mates for a
molecule and
write out the files containing the symmetry related molecules. I'm
resisting
the urge to reinvent the wheel.
What is the best way to do this? I'd prefer to do it within a
python program
using an open source library, but I'd settle for scripting an
external
program if that is the only option.
James
--
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P.H. Zwart
Beamline Scientist
Berkeley Center for Structural Biology
Lawrence Berkeley National Laboratories
1 Cyclotron Road, Berkeley, CA-94703, USA
Cell: 510 289 9246
BCSB: http://bcsb.als.lbl.gov
PHENIX: http://www.phenix-online.org
CCTBX: http://cctbx.sf.net
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