> So something like this (if you prefer to predefine things): > > set defaultAltLoc 1A 2B 3B 4C > load "filename"
Yes, something like that. Or, maybe set altLoc "ABBC" > Heaven forbid that on top of that there are multiple models with > multiple altlocs, You are right ... what a disaster it would be with multiple models. > Yes, I suspect this is the more flexible way to go. Then you would > > select altloc=A > > meaning always "locations with only the default or specifically A". > > That wouldn't be so bad. > > How are different "runs" specified? Individual atoms are tagged with an altLoc identifier ... space or 'A', 'B', 'C', etc. Generally, all of the ' ' atoms are together, followed the 'A's, then the 'B's. When the atoms switch back to ' ' then we have reached the end of a 'run'. Basically, the software would need to read through the file and 'guess' what constitutes a 'run'. Jan can probably tell us the 'worst cases' in terms of number of runs in a file and the maximum number of alternates within a run. Miguel ------------------------------------------------------- Using Tomcat but need to do more? Need to support web services, security? Get stuff done quickly with pre-integrated technology to make your job easier Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo http://sel.as-us.falkag.net/sel?cmd=lnk&kid0709&bid&3057&dat1642 _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
