Dear Pawel,
Please forward me the script which you are talking about.
Thanks in advance.
Jac
On Apr 23, 2015 8:27 PM, "Pawel Janowski" <pawelrc.gmail.com> wrote:
> Also, if you get stuck we have a script that will produce the REMARK 290
> given any space group. If you require it, let me know.
>
> Pawel
>
> On Thu, Apr 23, 2015 at 10:31 AM, 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
