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
ChemPy has a an SDF class for processing SD files. Here's an example of
using it to answer your question.
# Python code for reading an SDF file with
# identifier in first line of the MOL record
from pymol import cmd
from chempy.sdf import SDF
from string import join,strip
isdf = SDF("input.sdf"
