Re: [Jmol-developers] Re: valid cif file?

[Bob H. <ha...@st...>]

Based on information at

http://ndbserver.rutgers.edu/NDB/mmcif/index.html

and

http://ndbserver.rutgers.edu/mmcif/examples/index.html

I'd say mmCIF is a subset of CIF and has to still follow the same basic r=
ules.
All the descriptions at

http://ndbserver.rutgers.edu/mmcif/dictionaries/html/cif_mm.dic/Groups/in=
dex.html

involve "data items" -- that is, categories within "data_"
so "data_" still has to be the first non-comment item in the file.

I think this file, even if mmCIF, is invalid.

Bob Hanson

Miguel wrote:

> Tamas wrote:
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>>Miguel,
>>
>>CIF and mmCIF are too different formats. mmCIF is for macromolecular CI=
F,
>>the extension of the original CIF format to proteins etc.
>>Cf.: http://www.ccp4.ac.uk/dist/html/mmcifformat.html
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> Tamas,
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> I am not familiar with the details ...
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> I thought that mmCIF was basically an extension to CIF that defined
> additional attributes and tags to support the needs of (and correct som=
e
> of the problems with) PDB files.
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> Given the iucr's stance on .CIF files, and their involvement in mmCIF, =
I
> would be quite surprised if they relaxed their position on grammar
> compliance with mmCIF.
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> ... perhaps others can assist in clarifying this ...
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> As an interim measure ... put the line
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> data_
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> At the top of your file and Jmol will recognize it as a .cif file and w=
ill
> *hopefully* read it in.
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> Miguel
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> -----
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> www.jmol.org
> mi...@jm...
> -----
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>=20
>=20
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--=20

Robert M. Hanson, ha...@st..., 507-646-3107
Professor of Chemistry, St. Olaf College
1520 St. Olaf Ave., Northfield, MN 55057
mailto:ha...@st...
http://www.stolaf.edu/people/hansonr

"Imagination is more important than knowledge."  - Albert Einstein