Hello All,
I am a long-time Molscript user and devotee and am trying to make the
move to PyMol for various reasons. A lot of the structures I work with are
at moderate-low resolution making automated secondary-structure prediction
difficult and most of them don't contain SS flags in the original PDB file
or they aren't very good. DSSP, dss, and util.ss all produce different
solutions (as expected) and none of them are quite correct. Over the years
I have manually edited my Molscript input files with the 'correct'
assignments and would like to continue using them (especially ones I've used
for structural interpolations where the assignments needed to change in a
few of the intermediates). I was wondering if anyone has a way of importing
secondary structure assignments from molscript input files (for example
reading the .in file and then exporting the header info for a PDB file that
can be pasted into the coordinate file)? It seems like it would be a
relatively straight-forward kind of script but that's a little out of my
expertise. Also, I'm happy that PyMol takes .r3d files from Molscript, but
I was wondering if any effort is being made to make PyMol capable of reading
Molscript .in files? I noticed on the website that there is some effort
being made to get a RasMol interpreter. Around here nobody uses Rasmol, but
many of us have learned to speak Molscript and also have large libraries of
input files and it would be great if they could be ported. Does anyone have
any experience doing that? Thanks,
Tony
