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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Is it possible to include any additional probe groups?
… useful probes to start exploring a binding site are usually: Alcohol Oxygen: the hydroxyl group can both donate and accept hydrogen bonds, so favorable spots …
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How do I use GOLD to predict binding affinity?
… GOLD has been optimised for the prediction of ligand binding positions rather than the prediction of binding affinities. It is not recommended to use scoring …
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How can I calculate a score per binding site residue?
… How can I calculate a score per binding site residue? …
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What is the difference between the GoldScore, ChemScore, ASP and ChemPLP scoring functions provided with GOLD?
… function provided with GOLD, and is the one selected by default for GOLD versions 5.0 and earlier. It has been optimised for the prediction of ligand binding …
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Mercury will not read my CIF input file. What am I doing wrong?
… _alpha _cell_angle_beta _cell_angle_gamma _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_zWe would also …
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How does licensing work for the CSD Portfolio?
… The CSDS is licensed on a geographical site basis and access is subject to a Licence Agreement. From 2020 the software is licensed for the period that has been …
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How do I obtain ConQuest, Mogul or GOLD?
… is typically provided to your site contact. If you do not have your licence information and do not know who your site contact is, please send an email …
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How do the default settings for GOLD differ in the MOE interface compared to standalone GOLD?
… The default set up in the GOLD interface in CCG's MOE is designed to generate a variety of plausible and different binding poses. There are some differences …
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Why are my H-bond constraints not being taken into account?
… should be a H-bond acceptor. The protein atom should be available for ligand binding (e.g. solvent accessible). You can see if the atoms involved in your H-bond …
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Why do I get different fitness scores for consecutive dockings with the same input files?
… of protein ligand interactions. Each chromosome is assigned a fitness score based on its predicted binding affinity and the chromosomes within the population …
Top Support Solutions
- CSD Portfolio software suites requirements and supported platforms
- What is the difference between the GoldScore, ChemScore, ASP and ChemPLP scoring functions provided with GOLD?
- How do I sign into WebCSD and what are the benefits of signing in?
- How does the GOLD licensing system work?
- How should I reference GOLD?
Newest Support Solutions
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