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Submitted By: kparkes (kparkes)
Assigned to: Nobody/Anonymous (nobody)
Summary: Problem with bonds in mol2 files
mol2 files generated with babel-2.0.0 appear to defeat
Sybyl's bond perception algorithm although those from
babel-1.100.2 did not.
The only difference I can see is that babel-2.0.0 gives
atoms an atom type + number ID (eg C41) in the second
column wheras babel-1.100.2 used just the atom type (eg
C). Atom type plus number IDs appear to be valid
identifiers in mol2 filesbut but may need to be
combined with bond records for some reason.