For questions not addressed by a support solution here, please email support@ccdc.cam.ac.uk. Please do include a description of the problem as well as your operating system and version.
What can we help you with?
-
Is it possible to use SuperStar for database screening?
… Yes. SuperStar maps can be expressed as a set of pharmacophore points, which highlight the key interactions represented within the map. Pharmacophore points …
-
Can I use SuperStar in conjunction with other modelling software packages?
… SuperStar has an interface via Hermes. It features easy selection of calculation settings, and offers much control over the display of multiple maps …
-
What is CSD-Discovery?
… design including SuperStar intermolecular interaction maps and CSD Full Interaction Maps (FIMS) Protein-ligand docking using GOLD API functions including conformer …
-
What is CSD-Core?
… maps CSD Python API (Applications Programming Interface) …
-
Why is GOLD unable to dock a particular ligand?
… this is not achieved after a specified time the docking will fail with following error message: Error message: Insufficient mapping points to define a 3D mapping …
-
Why do I get different fitness scores for consecutive dockings with the same input files?
… docked orientations of the ligand) is set up at random. Each member of the population is encoded as a chromosome, which contains information about the mapping …