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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Managing warning messages from the CSD Python API
… Warning messages from the CSD Python API can be suppressed or turned into errors using a native Python feature described at this link. warnings - Warning …
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Why is there a discrepancy between the final fitness score and the calculated fitness score (from individual terms) of a docking performed using the GOLD API?
… Under some circumstances when using the GOLD API there may be a discrepancy between the calculated fitness score and the final fitness score displayed …
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What is CSD-Core?
… maps CSD Python API (Applications Programming Interface) More about CSD-Core …
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Running python scripts from the 2024.1 versions of Mercury or Hermes may not display output correctly on linux
… For the 2024.1 release of Mercury and Hermes, running CSD Python API scripts via these programs may not correctly show the expected output once the script has …
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What other software and/or data components should I install to make use of functionality I want to access?
… API All* CSD Python API, (GOLD) (CSD Main Data), (CSD Mogul Data), (CSD IsoStar Data), (CSD CrossMiner Data) Mercury CSD-Community Features and anything …
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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 …
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What is CSD-Materials?
… analysis, and FIMS Crystal packing studies Hydrate analysis Cocrystal screen design using molecular complementarity API functions including crystal packing …
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What is CSD-Theory?
… Python API More about CSD-Theory …
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How can I run GOLD in parallel?
… is thus required and a script is available which illustrates the use the CSD Docking API and the Python standard-library multiprocessing module to parallelize …
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How can I calculate a score per binding site residue?
… the GOLD and GoldMine user manuals for more details. Please note that GoldMine has been superseded by the development of GOLD in the CSD Python API and is no longer …
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Newest Support Solutions
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