Bugs item #1188327, was opened at 2005-04-22 21:33 Message generated for change (Comment added) made by gabrielfrey You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=1188327&group_id=23629
Category: Scripting Group: None Status: Open Resolution: None Priority: 5 Submitted By: GabrielFrey (gabrielfrey) Assigned to: Miguel (migueljmol) Summary: Script: chain expression seems to be always in upper case Initial Comment: In rasmol script, it does not seem to be possible to distinguish chain "a" from chain "A" for select, restrict and define expression. For example, "select :a" will select chain "A". ---------------------------------------------------------------------- >Comment By: GabrielFrey (gabrielfrey) Date: 2005-04-23 18:42 Message: Logged In: YES user_id=1264845 The behavior is the same in RasMol. Nevertheless, it can make some selection difficult. For example, in the PDB files 1ML5, there is a chain "A" and also a chain "a" (as allowed by the PDB specification). I think automatically conversion to upercase makes the script writing easier. Maybe an option to allow upercase/lowercase distinction in script or a specific symbol before the chain to force the case to be respected coud be usefull for certain files. ---------------------------------------------------------------------- Comment By: Miguel (migueljmol) Date: 2005-04-23 17:39 Message: Logged In: YES user_id=1050060 Well, this behavior was intentional ... but it may not be correct. It looks like the PDB spec says that the 'chainID' field can be any character. The program SCOP automatically converts everything to upper case. I *thought* that was the behavior of RasMol/Chime. Do you know what RasMol does with upper/lower case chars? Let's keep talking about this. Miguel ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=1188327&group_id=23629 ------------------------------------------------------- SF email is sponsored by - The IT Product Guide Read honest & candid reviews on hundreds of IT Products from real users. Discover which products truly live up to the hype. Start reading now. http://ads.osdn.com/?ad_id=6595&alloc_id=14396&op=click _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
