[Jmol-developers] Re: valid cif file?

[Tamas E. G. <tg...@pu...>]

Miguel,

CIF and mmCIF are too different formats. mmCIF is for macromolecular CIF,
the extension of the original CIF format to proteins etc.
Cf.: http://www.ccp4.ac.uk/dist/html/mmcifformat.html


Tamas

Dr. Tamas E. Gunda
Dept. of Pharmaceutical Chemistry
University of Debrecen
POBox 36
H-4010 Debrecen, Hungary

tgunda (AT) puma.unideb.hu


----- Original Message ----- 
From: "Miguel" <mi...@jm...>
To: <jmo...@li...>
Cc: <tg...@pu...>
Sent: Tuesday, February 08, 2005 21:12 PM
Subject: valid cif file?


My question is about the validity of a CIF file ...

I have received a file which claims to be a CIF file. The first few lines
look like:


##################################################
#  mmCIF file created by CS Chem3D
##################################################



##################################################
#  sequence section
#

loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id

[snip]

Note that the first non-comment in this line is loop_

All of the other .CIF files that I have ever seen either start with data_
or _publ_


Q: Can someone who is familiar with CIF tell me whether or not it is valid
to have a .CIF file that starts with the header above?

(Jmol does not have a validating .cif parser. I know that iucr is *very*
concerned about making sure that programs that claim to generate .cif
files are valid.)



Miguel