I've been looking into sprouting hydrogens, and it's no problem. The only thing is what do people really want. Please start discussing what you want.
1) Only PDB models (like Chime)? 2) Only the 20 common amino acids (like Chime)? 3) Just carbons or all atoms? 4) If not just PDB residues, suggestions for resolving oxidation state ambiguities like -CCCO, which could be CH2CH2CH2OH or several other possibilities. 5) If not just carbons, suggestions for resolving pKa issues. 6) If not just carbons, suggestions for resolving dihedral selection. 7) full model or selected subsets? Bob ------------------------------------------------------------------------- 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&kid=120709&bid=263057&dat=121642 _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
