Mol2 to PDB; Nucleotide System. Atom Name lost for some atoms
Dear OpenBabel community,
I am trying to convert from .mol2 format to .pdb format, whilst
keeping the 'atomname' field (column 3) of the PDB in line with the
mol2 name e.g. C5'.
I have a strand of AAAAAAAAAA bound to a strand TTTTTTTTTT. I'd like
the nucleotides in the PDB to be numbered according to nucleotide
When I convert the attached PDB file, it works as I hoped for one of
the strands (see second half of the PDB file), but babel seems to not
recognise the first half, and instead default to calling the first
strand simply HETATMs with atomname=element. e.g. C rather than C5'
I am using
Open Babel 2.2.3 -- Jul 23 2010 -- 07:24:53
babel -imol2 in.mol2 -opdb out.mol2
Any ideas as to what could be going wrong would be very much appreciated,