> I don't think this is a PDB data quality bug, it is a PDB format > feature. Every NMR PDB file contains this: > > REMARK 4 PROTEIN DATA BANK CONVENTIONS REQUIRE THAT *CRYST1* AND > REMARK 4 *SCALE* RECORDS BE INCLUDED, BUT THE VALUES ON THESE > REMARK 4 RECORDS ARE MEANINGLESS.
If that is the case, then should the pdb reader code just discard the crystal cell data if it looks like this: >>The relevant records in the .pdb file are: >>CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 >>ORIGX1 1.000000 0.000000 0.000000 0.00000 >>ORIGX2 0.000000 1.000000 0.000000 0.00000 >>ORIGX3 0.000000 0.000000 1.000000 0.00000 >>SCALE1 1.000000 0.000000 0.000000 0.00000 >>SCALE2 0.000000 1.000000 0.000000 0.00000 >>SCALE3 0.000000 0.000000 1.000000 0.00000 Miguel ------------------------------------------------------- This SF.Net email is sponsored by: IBM Linux Tutorials Free Linux tutorial presented by Daniel Robbins, President and CEO of GenToo technologies. Learn everything from fundamentals to system administration.http://ads.osdn.com/?ad_id=1470&alloc_id=3638&op=click _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
