Nice :-)

Hi guys,





This looks really nice! It had a few problems with some of my PDB files but i understand it's only in its early development stages. We've been looking for something like this for a while now that we can easily integrate into our Java apps, i'll be watching this closely!





What would be useful is if you have a protein and multiple docked ligands (after doing some docking experiments) then i could load them all into MarvinSpace then programatically show/hide the ligands individually. I'm also interested in the Conolly surface mapping.





Thanks


Alistair

Hi Alistair,





thanks for the nice words!


PDB loading is quite immature indeed, I guess 50% of files are not imported at all. This will be fixed in the next couple of months.





Yes, it will be possible to load multiple ligands in the same protein. User can hide/show/delete as well as transform each individual structure. Transformations include the change of dihedral angles of rotatable bonds, too.





Regards,


Miklos