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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How can I classify the chirality at stereocentres in my structure using Mercury?
… Any molecular or crystallographic files displayed in Mercury can be assessed and the observed stereocentres (if any) can be classified as long as the molecular …
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How do I export CSD search data from ConQuest to Mercury for Data Analysis?
… by clicking on Analyse Hitlist > Analyse Data above the resulting refcode list or selecting File > Analyse Data in Mercury from the top-level menu. You …
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How do I get Mercury to recognise that I have a version of the CSD database installed?
… the appropriate database files. In such a case, Mercury can be pointed to the correct location by using the CSD-Core -> Select Databases menu option. Mercury will also check …
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How do I obtain data already deposited with the CCDC?
… file(s) that you require. …
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I'm trying to use the Mercury-MOPAC link but keep on getting an error message: what does it mean?
… Hamiltonian supports the elements in this structure. Please ensure the following: That MOPAC is installed in the default directory: C:\Program Files\MOPAC\ You …
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What should I do if checkCIF/PLATON times out during the web deposit process?
… to submit your files to the CCDC without generating checkCIF/PLATON reports. …
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Why is GOLD unable to dock a particular ligand?
… The vast majority of problems of this nature are caused by incorrectly set up ligand and/or protein input files. GOLD uses an all atom model, so the protein …
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Crystallisability and solvate prediction scripts not working in 2024.2 release
… owing to a bug. As a workaround, you can edit the file CCDC\ccdc-software\csd-python-api\miniconda\Lib\site-packages\xgboost\compat.py. Add the following code …
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Installation of the CSD Python API miniconda may fail on Windows
… Miniconda utilises very long file paths during installation and by default Windows does not have support for long paths enabled. This can cause installation …
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Installation of the 2022 CSD Portfolio Software and Data
… involves running via the command line. Windows: Ensure you are in the same directory as the .exe installer file and then just type its name, e.g. csds-windows.exe …
Top Support Solutions
- CSD Portfolio software suites requirements and supported platforms
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- How does the GOLD licensing system work?
- How do I sign into WebCSD and what are the benefits of signing in?
- How should I reference GOLD?
Newest Support Solutions
- Picking atoms in Mercury or Hermes stopped working after I upgraded to 2024.2
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