getting pymol into ports/science?

[Jack Howarth]

On Sun, Oct 11, 2009 at 03:32:17PM -0500, Ryan Schmidt wrote:
>
>
>> FYI, if MacPorts had wider range of packages, the breakage
>> in tcl (as of 8.5.7) would have been more easily noticed.
>
> That could be true. :) Thank you for contributing pymol and discovering 
> this problem.

Ryan,
   If you want a quick demo of what pymol can do, after installing
a tcl with --disable-core-foundation and the current pymol packaging
on http://trac.macports.org/ticket/21376, you can test it with...

1) Execute 'pymol' on a terminal.
2) Select the 'Wizard->Demo->Representations' menu item from the 
pymol menu bar.
3) Click through on each of the buttons in the 'Demonstrations'
panel in the Pymol Viewer window. This will show you each demo
in turn.
          Jack
ps I have several associated tickets for adding apbs/apbs-mpi
packages for generating electrostatic surfaces in pymol as well
as a pdb2pqr package to generate the required pqr files for
apbs to use. Altogether this is a very useful set of programs.

pps I have also pinged the tcl developer who submitted the
core-foundation changes for 8.5.7. In fink, we have always
had issues with core-foundation being unstable in tcl from
release to release. It has tended to be broken more often
than not. However this may be due to the lack of X11 testing
that upstream gives tcl (compared to testing the native
aqua tcl version).