On Thu, Apr 23, 2015, jacob wick wrote:
> >
>
> I have a cif file of a small molecule of my interest. So, is it worth to
> use UNITCELL command on cif file or only pdb file format is required?
The UnitCell comand requires PDB-format input. But there are lots of tools
to convert cif to pdb, just Google on "convert cit to pdb".
(It might be a bit complicated, since the UnitCell commands uses information
in the REMARK 290 block, and not all programs might provide this. If this is
a problem, you can use VMD, Chimera, Mercury, or many other programs to
contruct the unit cell, or supercells that consist of many unit cells. Save
in PDB format, and use that as the input to loadPdb in LEaP.)
....dac
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Received on Thu Apr 23 2015 - 08:00:02 PDT
