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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What should I sketch for a similarity search?
… The similarity search is based on a comparison of molecular fingerprints, so it is important to sketch a full molecule rather than a substructure …
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How does the similarity search work?
… The similarity search in WebCSD is based on molecular fingerprints that are calculated using the chemical features of the molecule such as atom types, bond …
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What is CSD-Materials?
… Hydrate analysis Cocrystal screen design using molecular complementarity API functions including crystal packing similarity, powder X-ray diffraction simulation …
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How does the formula search work in WebCSD?
… In WebCSD you can search for an entry in the Cambridge Structural Database (CSD) by its molecular formula by entering search criteria in the Molecular Formula …
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What are the strengths/weaknesses of similarity searching in WebCSD?
… With all fingerprint-based methods of similarity searching there are certain strengths and weaknesses inherent in the fingerprint definitions …
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ConQuest fails to start with “undefined symbol: FT_Load_Sfnt_Table”
… , the command for this will be something similar to: sudo yum install freetype …
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What input file format do I need for a Hydrogen Bond Propensity calculation?
… The Hydrogen Bond Propensity tool (accessed from within Mercury) accepts molecular input in a wide variety of formats. If you simply want to assess …
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ConQuest fails to start with “ImportError: libXmu.so.6:”
… for this will be something similar to: sudo yum install libXmu # RHEL / Centos sudo apt-get install libXmu # Ubuntu Please consult your system administrator for further …
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I am trying to install the CSD Python API but encountered an UnsatisfiableError
… If you are trying to install the API separately and you get the following error message or similar: UnsatisfiableError: The following specifications were found …
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ConQuest behaves oddly when manipulating structures in 3D
… is similar for both platforms: MacOSX Open a Terminal cd to the top of the CSD_System_20XX tree cd to conquest.app/Contents/Resources/lib/hitbrowser/Browser copy …
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
- The 2024.3 CSD Portfolio software does not start on linux under Wayland and gives a Qt mismatch error
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- Unable to run the CCDC maintenance tool on macOS 15
- CSD Python API not working on RHEL 9
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