Looks like a Scitegic extension to a Tripos format. In theory we could add support but in the meanwhile, it might be better to see whether a Scitegic tool can be use to convert the file to an SDF file, for example, where Open Babel's property support is much stronger.
- Noel On Thu, 2 May 2019 at 16:03, ajay4pal <ajay....@mydit.ie> wrote: > Hi > I have mol2 datafile from molecular docking > I am extracting molecules using openbabel > > obabel test.mol2 -O t.mol2 --filter "title='AK-968'" > > ########## last few lines of molecule mol2 format ##### > 25 23 21 ar > 26 24 21 1 > @<TRIPOS>SUBSTRUCTURE > 1 **** 1 > @<SCITEGIC>MOL_PROPERTY > Name > SciTegic.value.StringValue > AK-968 > @<SCITEGIC>MOL_PROPERTY > minimizedAffinity > SciTegic.value.StringValue > -8.02212 > ################### end of molecule ######## > > openbabel extracts the molecules but doesn't include minimizedAffinity > property. > Is there a way to extract this property as well > tried using --append and --property args. > > > Thanks > > > > -- > Sent from: http://forums.openbabel.org/General-discussion-f3090658.html > > > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss >
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