During the weekend I gave a try to dig into pymol (ie I was thinking how
to implement a "PDB wizard" that somebody requested recently. I realized
there is no real docs about freemol/chempy so if I want to find out how
a molecule is represented I have to use the source - only. It is OK, but
wouldit
On Mon, Mar 11, 2002 at 10:47:17AM -0800, DeLano, Warren wrote:
[..]
> # Python code for reading an SD file with
> # identifier as separate SD field 'MOLID'
[..]
Brilliant, now I only have to generate some environment around. Thanks!
Szilva
Dear Pymol Users/Developers,
If I have an MDL (.sdf) file with multiple models, how can I ask pymol to
load them into separate models? As I checked pymol is reading sdf with
chempy's reader, so I could access the data field as well somehow.
Cheers:
Szilva
