While it's easy for you to hack the mol2format.cpp code - I have never seen more than 3-4 decimal places in a mol2 file.
I've looked for the format specification, but it doesn't seem to be online. How much is it changing the dihedral angles? -Geoff --- Prof. Geoffrey Hutchison Department of Chemistry University of Pittsburgh tel: (412) 648-0492 email: geo...@pitt.edu twitter: @ghutchis web: https://hutchison.chem.pitt.edu/ > On Sep 19, 2019, at 1:06 PM, David Ricardo Figueroa Blanco > <dr.figuero...@uniandes.edu.co> wrote: > > Hi, > > I am working with xyz files but I need to convert many .xyz to .mol2. I used > babel *.xyz - omol2 -m but the mol2 file round in the 4 decimal number and I > need all the decimals that came from the .xyz file. This is important because > it changes some dihedral angles. > > Thank you for your time and colaboration. > David > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > <mailto:OpenBabel-discuss@lists.sourceforge.net> > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > <https://lists.sourceforge.net/lists/listinfo/openbabel-discuss>
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