Dear Simon and other pymolers,
I have realised that the solution to getting cctbx working with pymol on
windows I posted no longer works with recent builds of cctbx. I have
found that the following solution works:
1. Download and install python (to the default location - C:\Python24)
(1a. If you want to use the draw_symops.py or draw_symops_cctbx.py
scripts you also need to install numarray after installing python
2. Download cctbx *without* python included and unpack into
C:\cctbx_build and C:\cctbx_sources
3. Download pymol built against python 2.4 (but not including its own
python) and install in the default location
(You cannot use the latest beta versions which include their own version
of python to the best of my knowledge)
4. Create 2 files (use notepad or wordpad or any other text editor) and
save in the C:\Program Files\Delano Scientific\PyMOL directory:
@python -x "%~f0" %* & exit /b
CALL "C:\Program Files\Delano Scientific\PyMOL\pymol.cmd"
5. One other thing, it's important to have python in your path variable
(which you can access by going to control
panel|system|advanced|environment variables), just add C:\python24 to
the end of the path variable, separated by a semi-colon.
Hopefully this should work OK... I know it is working on at least one
other system than my own. Let me know if it works for you. I'll post
this up on the wiki ASAP.
is there any possibility to get a list of the pairs of atoms that are matched
using the align command?