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 does the formula search work in WebCSD?
… are curated formulas based on information from the deposited CIF file. These formulas may sometimes differ from the formula provided in the deposited CIF file …
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Activating the CSD Python API
… script contains a space, enclose the full path in double quotes, for example: . "C:\Program Files\CCDC\ccdc-software\csd-python-api\miniconda\shell\condabin\conda …
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Does GOLD allow for protein flexibility?
… in the gold_ligand.log file. Further information about this feature and how to use it can be found in the GOLD documentation. Where multiple models of the protein …
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I’ve found a structure in a paper that I would like to obtain data for, but I can’t find a deposition number - what do I do?
… . In this case the CIF will contain information to say that the file was created manually. …
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My CSD Portfolio installation is asking me to re-register even though I registered during installation
… The CSD licensing system works by trying to determine a unique identifier for your computer, which is then sent to our licence server. A binary file …
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How to deploy the CSD Portfolio to multiple computers
… file with the following contents. [General]root=N:\CCDC-data\ccdc-data Then save it to a central location. Windows: C:\ProgramData\CCDC Linux: /etc/xdg/CCDC …
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Installation of the 2023 and later CSD Portfolio Software and Data
… it or configure its location. Choose the 'configure' option and select the ccdc-data folder from your remote data install. This location will be saved to a CSD.ini file …
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Why is it not possible to return the crystallographic binding pose of the ligand?
… . The following represents a non-exhaustive list: The ligand crystallographic pose is actually not correct. The ligand file being docked is incorrectly atom- and bond …
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Neutron Diffraction Data in the CSD
… CIF file, by including ‘Neutron’ in the following CIF fields: _diffrn_radiation_probe ‘Neutron’ _diffrn_radiation_type …
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Synchrotron Data in the CSD
… this within your CIF file, by including ‘synchrotron’ in the _diffrn_radiation_type CIF field, e.g.: _diffrn_radiation_type …
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 does the GOLD licensing system work?
- How should I reference GOLD?
- How do I sign into WebCSD and what are the benefits of signing in?
Newest Support Solutions
- "Cannot download archive" error when running the online installer
- Searches on macOS with cqbatch from the 2024.1 release may fail
- Documentation fails to open when launched from a CCDC application on linux
- How can I improve visualisation performance when running CCDC software over Remote Desktop Connection (RDP)?
- I am unable to set a file association (e.g. opening cif files with enCIFer) on Windows 11