Quoting Miguel <[EMAIL PROTECTED]>: > Jmol already supports both formal charges and partial charges. > Some file formats support one ... other file formats support the other. > CML, for example, supports both.
So it should be quite simple to write a perl script to convert ".mol2 files" into "CML files" to be able to display _partial_ charge values as Labels in Jmol (as Atom Name Labels are displayed). > > and it would be great to display these charges in Jmol > > as the three other labels... > > I do not know what you mean by 'three other labels' You load a PDB or MDL file in Jmol, you click right, in the 'Labels' pulldown, you can display _only_ three Labels: Element Symbol, Atom Name or Atom Number. No partial charge 'type' label is available... Regards, Francois ------------------------------------------------------- This SF.Net email is sponsored by: Power Architecture Resource Center: Free content, downloads, discussions, and more. http://solutions.newsforge.com/ibmarch.tmpl _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
