Atom typing problem

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#711 Atom typing problem

Status: open

Owner: nobody

Labels: File Translation (240)

Priority: 5

Updated: 2012-10-23

Created: 2011-03-23

Creator: Anonymous

Private: No

Converting http://ligand-expo.rcsb.org/reports/2/2TC/2TC_ideal.pdb to mol2 format using Open Babel 2.2.3 -- Aug 10 2010 -- 13:11:06 on OS X gives output in which atom O3 has Sybyl atom type O.2 (sp2 oxygen) even though it's got a hydrogen attached; I thought O.2 was only for the oxygen in ketones and that the oxygen in hydroxyls was O.3.

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Anonymous - 2011-03-23

input file which has the problem

input file which has the problem

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#711 Atom typing problem

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