I have a detailed question about the behavior of atom specifications in RasMol expressions.
We think we understand what is intended by the expressions select *.fe and select *.ca Presumably, the first selects all iron atoms and the second selects alpha carbons. But the second case gets a little more interesting if you put a calcium atom in the file. Q: There is a calcium atom in the .pdb file and we evaluate the expression 'select *.ca' ... Should the calcium atom be selected? Q: Is the *desirable* behavior different from the RasMol/Chime *compatible* behavior? The problem is that the atom name field in the .pdb file is 4 characters long. Given less than 4 characters to 'pattern match', the challenge is to figure out how to do the comparison. Q: For compatibility with existing RasMol/Chime scripts, is my concern about this issue even warranted? Miguel ------------------------------------------------------- This SF.net email is sponsored by: SF.net Giveback Program. Does SourceForge.net help you be more productive? Does it help you create better code? SHARE THE LOVE, and help us help YOU! Click Here: http://sourceforge.net/donate/ _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
