Uwe, > We plan a research project where we want to stepwise incorporate D-amino > acids into a peptide. To determine the exchanges it would be very useful > if > PyMol could assist. > If I might dream I would like to have D-amino acids (and maybe other un- > usual amino acids) available in the mutation-tool;
You can flip residue 5 from L to D with the following two commands edit 5/ca invert 5/n, 5/c > some simple energy > minimization / bond relaxation; storing the resulting molecule in PDB- > format. Sculpting can relax VDW/bond/angle strain, but it is not energy minimization by any means. > Can I hope ? Is this something others find useful as well ? We'd all like to see a real forcefield in PyMOL, but no one has written the code yet. Cheers, Warren