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")
while 1:
r = isdf.read()
if not r: break
mol = r.get('MOL')
ident = strip(mol[0])
cmd.read_molstr(join(mol,''),ident)
isdf.close()
# Python code for reading an SD file with
# identifier as separate SD field 'MOLID'
from pymol import cmd
from chempy.sdf import SDF
from string import join
isdf = SDF("input.sdf")
while 1:
r = isdf.read()
if not r: break
mol = r.get('MOL')
ident = r.get_single('MOLID')
cmd.read_molstr(join(mol,''),ident)
isdf.close()
--
mailto:[email protected]
Warren L. DeLano, Ph.D.
Informatics Manager
Sunesis Pharmaceuticals, Inc.
341 Oyster Point Blvd.
S. San Francisco, CA 94080
(650)-266-3606 FAX:(650)-266-3501
> -----Original Message-----
> From: Szilveszter Juhos [mailto:[email protected]]
> Sent: Monday, March 11, 2002 9:27 AM
> To: [email protected]
> Subject: [PyMOL] MDL file
>
>
> 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
>
>
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>
