[Chimera-users] Converting sdf file into mol2 format

Mahendra B Thapa thapamb at mail.uc.edu
Wed Apr 29 11:01:36 PDT 2015


Dear Chimera users,

I am trying to convert sdf file ( downloaded from* diversity set* data from
'http://scs.illinois.edu/htsf/compound_collection/nci.php') into mol2
format. When I ran the command chimera --nogui processSDF.py
as given the previous posting (
http://www.cgl.ucsf.edu/pipermail/chimera-users/2010-March/004974.html), I
got the following error messages:
Cannot find consistent set of bond orders for ring system containing atom
#0.73:1 at N1
---
Unknown redo atom type: N3
Traceback (most recent call last):

Any suggestions for correcting these errors will be a good help for me.

Thank you,
Mahendra Thapa
University of Cincinnati,OH
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