> according to the PDB Format Guide this could be specified in column > 79-80 just behind the element type of the ATOM, HETATM records, but as > with the element field, there are only few cases (by hart, I know none). Good.
I took a look at the PDB format specification and see what you are talking about. But, if the files do not have this value filled in then it will not do us much good. >>Do the 4 characters in the file actually say "FE2+" ? >> >> > we should have a primitive for this and should be able to do something > like select charge >= 2 This would be very easy to add > RasMol 2.7.2.1 handles them according to the molecule parameter. In the > sequence, they are loaded, they were assigned numbers 1 to 5. You > address which molecule is used for transformation or rendering by I will take a look at the 2.7.2 documentation. I generally still work from the 2.6 documentation because I have a paper copy with my personal notes written on it. > rotate all false > molecule 1 > # now only the first loaded molecule is targeted > rotate x 90 > cartoon > molecule 2 > # now the second is used > cpk > rotate all true > translate x 50 > # all is translated This looks like a good extension to the scripting language. 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
