-- Angel got it -- exactly.
On Fri, Feb 27, 2015 at 10:21 AM, Robert Hanson <hans...@stolaf.edu> wrote:
> So don't add blank lines. ;)
>
> Jmol needs to identify the file as mmCIF in the first 16 lines, exclusive
> of comments.
> If you are adding lines, add one along with those blank lines starting
> like one of these:
>
> private final static String[] mmcifLineStartRecords =
> { "MMCif",* "_entry.id <http://entry.id>", "_database_PDB_", "_pdbx_",
> "_chem_comp.pdbx_type", "_audit_author.name <http://audit_author.name>",
> "_atom_site." *};
>
> It's the "_atom_site." that I just added. I'm pretty sure that is an mmCIF
> and not CIF format, so I think it's probably OK.
>
> You can force any reader using "::" and not worry about any of this:
>
> load "mmCIF::xxx.cif"
>
>
>
>
>
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Department of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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