private final static String[] pqrLineStartRecords =
{ "Pqr", "REMARK 1 PQR" };
Jmol is expecting:
REMARK 1 PQR file generated by PDB2PQR (Version 1.1.2)
REMARK 1
REMARK 1 Forcefield Used: AMBER
REMARK 1
REMARK 5
REMARK 6 Total charge on this protein: 4.0000 e
So lacking that, yes, you need pqr::
2010/11/9 Angel Herráez <angel.herr...@uah.es>
> Dear Bob,
>
> Yesterday I had to work with a PQR file. I knew that Jmol opens them, but
> it seems that it
> was being interpreted as pdb (the partial charges were not right)
> When I loaded using load "pqr::xxx.pqr" to force the format, ir came out
> good.
>
> So my question is: how is the reader in Jmol deciding if it's a pdb or a
> pqr? Should I always
> use the double colon format?
>
> Thanks
>
>
>
>
> ------------------------------------------------------------------------------
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
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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David G. Thomson, author of the best-selling book "Blueprint to a
Billion" shares his insights and actions to help propel your
business during the next growth cycle. Listen Now!
http://p.sf.net/sfu/SAP-dev2dev
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