Dear Bob, 1. At "calculate hbonds" it is not clear to me what "all other cases" means. I think you are saying that if hydrogen atoms are present, and if you "select all" instead of "select not hydrogen" before "set hbonds rasmol false" and "calculate hbonds", you get the result in the 3rd column of the table. Could you please be more explicit in the second column of the table, third row?
2. Under "calculate hbonds" section "see also" please add "hbonds". 3. Under "calculate hbonds" in the second row of the table, please add that hbonds between water molecules are not calculated, but hbonds between water molecules and non-water entities are calculated. 4. Under "calculate hbonds" in the third row, please add that hbonds between water hydrogens and water oxygens are calculated. 5. Somewhere under "calculate hbonds" please mention that "hbondsrasmol" is true by default. 5. Under "hbonds" in the section "see also" please add "calculate". I know it is redundant but I think one should not have to read every word to find which other commands are relevant. 6. Under "hbonds" please add "hbonds delete" and mention that it deletes only hbonds between atoms in the previously selected set. 7. Under "delete", add that a delete command deletes all atoms specified in the command, not just the previously selected subset of those atoms. 8. Under "calculate hydrogen" please add that all hydrogens are added, not just those appropriate for the previously selected set of atoms. Thanks! Eric ------------------------------------------------------------------------------ This SF.net email is sponsored by Windows: Build for Windows Store. http://p.sf.net/sfu/windows-dev2dev _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
