> AltLoc is most useful for comparing models, if only one model is loaded > this isn't possible. All conformations in the PDB file should be > accessible after file load.
OK >> You are right ... what a disaster it would be with multiple models. >> > 1SKT > 1xhj terrible :-( >> 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. >> >> > No, I'm sorry, I am badly connected at the moment for PDB analysis, but > I guess BCDE*3 ~ 12 AltLoc per residuum is the worst case, but only for > special surface positions. > The misuse for displaying point mutations may produce up to 20 AltLoc > conformations. Thank you for the estimate. If you can later find out what the 'worst cases' are then that would be helpful for testing. > I don't like the "correct" combinatorial AltLoc to model implementation > and vote for an AltLoc run implementation simply joining *all* *%A into > one and all *%B into an other model, Good. > this will give 12 models to be > generated (worst case, the number of alpha chars, if the PDB file author > sorrowfully only joins coexisting conformations by a single char). Yes. Good to know that you would favor this approach. Per Warren's suggestion, it would be good to know how other packages deal with this problem. 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
