Options to MolImporter to disable parsing properties

User b8328d9beb

11-04-2007 09:19:23

Hi,





I am trying to read very large SDF files with ~10K molecules each with ~1000 properties. The function takes ~12 minutes to execute whereas i can process the same set of molecules in a minute if the SDF file doesnt have any properties. Is there any parameters which i can set to disable parsing the properties in SDF files?





Cibin

User b8328d9beb

11-04-2007 09:20:46

This is the jython code i was executing


Code:



from chemaxon.formats import *


import time





print time.asctime()


a = []


mi = MolImporter ("d:/sdf/10000.sdf(b0)")


mol = mi.read()


while mol is not None:


    mol = mi.read()


    a.append (mol)


mi.close()


print time.asctime()


ChemAxon 7c2d26e5cf

11-04-2007 13:14:39

Quote:
Is there any parameters which i can set to disable parsing the properties in SDF files?
There is no such kind of option in Marvin.


Try to filter the property fields somehow from the input file and pass the filtered one to MolImporter.