Thanks for the info -
the original problem was the second example I gave -
I only added the blank lines in order to try and figure out what the problem
was.
In the case of the second example, Jmol-13.3.7 had no problem with
reading the CIF, while Jmol 14+ doesnt offer cartoons as an option etc.,
but must know its an mmcif because still reads the coordinates (?)
- thus I assumed it was a bug.
Seems its just a change to how Jmol reads files... :-(
Cheers
Simon
Quoting Robert Hanson <hans...@stolaf.edu>:
> -- 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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