I am using the --fillUC option with keepconnect for generating the symmetry
mates. As per my understanding goes, by using this option, we should get
full molecule.
for example if the benzene molecule is having 12 atoms, so after generating
the file using --fillUC option the number of atoms in the file should be
multiple of 12.
No w I used the same command and ran OPENBABAEL for the file PIZFAF.cif
(file attached), which is having F -4 3 m space group. Molecule is having
53 atoms.
I am getting total of 2225 atoms (a.pdb), which is not multiple of 53.
Where am I doing wrong?
How the result of OpenBabel can be rearranged to get the molecule.
I am in desperate need of the solution
thanx in advance.
PRASUN (ASHOKA)
Desire + stability = Resolution
Resolution + Hard work = Success
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