FAQs
For questions not addressed by a support solution here, please Contact Us. 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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Does GOLD allow for protein flexibility?
… during docking in order to optimise hydrogen bonding interactions of these residues with the ligand. The positions of lysine NH3+ groups are similarly optimised …
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Why do I get different fitness scores for consecutive dockings with the same input files?
… that a variety of plausible binding modes of similar score can be retrieved easily. For further information please refer to the GOLD user manual. …
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How should I reference CSD-Particle?
… For VisualHabit functionality the reference is HABIT - a program for predicting the morphology of molecular crystalsG. Clydesdale, R. Docherty, K. J. Roberts …
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How should I reference Mogul?
… Retrieval of Crystallographically-Derived Molecular Geometry Information I. J. Bruno, J. C. Cole, M. Kessler, Jie Luo, W. D. S. Motherwell, L. H. Purkis, B. R …
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Why is it not possible to return the crystallographic binding pose of the ligand?
… crystallographic binding pose can be reproduced better. The GOLD docking algorithm returns only very similar binding poses. If so, try using the Diverse …
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Why does Mercury not generate an ESD for a particular bond length, angle, torsion or other measurement in my structure?
… Mercury provides the tabulation of measured and standard molecular geometric parameters, along with estimated standard deviations (ESDs) for those values …
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What are the requirements for the CSD licensing system (from 2020)?
… server.Configuration to use the licence server works similarly to performing activation - you can configure this for an individual user or system-wide at install …
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How should I reference GOLD?
… . Taylor, J. Mol. Biol., 267, 727-748, 1997 [DOI: 10.1006/jmbi.1996.0897] Other GOLD publications include: Molecular recognition of receptor sites using a genetic …
Top Support Solutions
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