As part of the ongoing development of our extensive software suite, we are pleased to announce further extensions to our industry leading ViewContacts software.
New functionality is now available allowing for ViewContacts calculations to be easily done with:
With relaxed constraints you see more contacts, including more distal binding site atoms that you are close to hitting with your ligand designs. With tight constraints you see fewer contacts – only those that are close to optimal in their distances and angles.
A new command line option is also provided allowing you to fine-tune the relaxation of the maximum distance cutoff for all close-contact interactions.
The additional constraint options provide powerful new tools for chemists and modellers when analysing ligand designs docked into binding sites as well as for crystallographers, when analysing lower resolution structures.