Bugs item #3573830, was opened at 2012-10-02 09:10
Message generated for change (Settings changed) made by hansonr
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Category: File Input/Output
Group: None
Status: Open
>Resolution: Fixed
Priority: 5
Private: No
Submitted By: Rolf Huehne (rhuehne)
Assigned to: Bob Hanson (hansonr)
Summary: 4B2Q - Load problems

Initial Comment:
Newer versions of Jmol than 11.6.8 have problems loading the asymmetric unit 
file of PDB entry 4B2Q (Java 1.6.0_35 on Linux).
Jmol 11.6.8 loads the structure just fine (see 
http://www.imb-jena.de/cgi-bin/3d_mapping.pl?CODE=1deh).
Jmol 11.8.8 takes about an hour and at least 7 GB of RAM just to tell "no atoms 
loaded".
Jmol 12.2.2 takes several minutes and 1.7 GB of RAM and just displays a few 
amino acids (see 
http://www.imb-jena.de/cgi-bin/3d_mapping.pl?CODE=4b2q&JMOLVERSION=12.2.2).
Jmol 13.1.4 needs several minutes and the displays the following error message:
script ERROR: Error reading file at line 72414:
HETATM70077  C2  ATP A1511     140.665  74.194 236.670  1.00 68.34           C  
Premature EOF
for file 
http://www.imb-jena.de/cgi-bin/idb_send.pl?CODE=4B2Q&MODE=compressed-asymmetricSNP
type Pdb
----line 1 command 4 of 
http://www.imb-jena.de/ImgLibPDB/tmp/4B2Q_snp.pdb.asymmetric.default-3813.jmz:
         load >> 
"http://www.imb-jena.de/cgi-bin/idb_send.pl?CODE=4B2Q&MODE=compressed-asymmetricSNP";
 <<


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>Comment By: Bob Hanson (hansonr)
Date: 2012-10-02 10:01

Message:
Thanks. yes, that's a poorly created REMARK 350. Fix is at
http://chemapps.stolaf.edu/jmol/Jmol-13.zip  Will be part of the next
release of 13.0.6 and 13.1.6 as well.

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