Thanks for the discussion.
On Apr 23, 2015 8:01 PM, "David A Case" <case.biomaps.rutgers.edu> wrote:
> 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 - 11:00:03 PDT
