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?
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What are the requirements for the new 2020 CSD licensing system?
… There are two main methods by which you may licence the 2020 CSD software: ActivationThe standard system for licensing is activation. You will need …
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Licensing and Activation Steps
… the software to use a local licence server, the activation steps can be found here. Notify your site contact on the need to obtain a new local license server key …
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How does licensing work for the CSD Portfolio?
… of the CSDS, the software can be installed and activated on one machine. However, there is no limit to the number of users that may access the installation. If a site …
ConQuest CSD-Core CSD-Discovery CSD-Enterprise CSD-Materials IsoStar Mercury Mogul PreQuest
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How do I define my active site?
… The active site can be defined in one of several ways: from an atom from a point from a reference ligand from a file containing a list of atoms from a file …
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How do I sign into WebCSD and what are the benefits of signing in?
… in to the site and connect a valid CSD licence. You can connect to a CSD licence by either of the following methods: Accessing the CSD web interface from an IP address …
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How do I activate the free version of Mercury?
… You need to run the activation tool - its location depends on your operating system. Here refers to the directory where Mercury was installed. Windows …
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Can I perform a rigid ligand docking using GOLD?
… Although GOLD was designed to dock flexible ligands into protein binding sites, it is possible to perform a rigid ligand docking. To enable this option, go …
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Why is it not possible to return the crystallographic binding pose of the ligand?
… microenvironments in the active site. The scoring function used is not the best for the protein in question. If so, try another scoring function to see if the ligand …
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How do I remove lone pairs from GOLD docking solutions?
… in the defined active site. If you wish, you can remove these lone pairs on the protein by loading into Hermes the protein file which is output by GOLD alongside …
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Is it possible to perform blind docking using GOLD?
… Unfortunately GOLD is not ideally suited to cases where no binding site is to be designated. GOLD currently has a built-in upper limit on the maximum size …