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 do I view CellCheckCSD results using WebCSD?
… ). For this to work, you will need to have an unlimited site licence for CSD-Core. Access is provided via a public server hosted at the CCDC. For pricing information about …
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Has GOLD been validated?
… program can then be used to predict the binding mode of the ligand and a comparison made with the crystallographically observed position. Using this methodology …
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CSD Python API Citation
… When publishing works that benefited from the CSD Python API, please site it using this reference: What has scripting ever done for us? The CSD Python …
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How should I deal with disordered structures in CSD Editor?
… If a structure contains disorder then the minor occupancy sites must be suppressed to leave a single representative atomic position that will then be matched …
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My version of the CSD Portfolio says it has expired, how do I get the latest version?
… has expired, please first check with your site contact on the status of your renewal. More details in this Licensing and Activation Steps FAQ. …
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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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I do not want to publish my structure, can it still be included in the CSD?
… information on CSD Communications is available in the Community section of the site and more information on ICSD Communciations is available from the FIZ …
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What level of disorder needs to be present to trigger the disorder filter in the CSD?
… for certain parameters. The level of disorder referred to in this case is essentially any structure in which there are multiple sites for any non-hydrogen atom …
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How do I remove lone pairs from GOLD docking solutions?
… in the defined active site. If you wish, you can remove these lone pairs on the protein by loading into Hermes the protein file which is output by GOLD alongside …
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How do I sign into WebCSD and what are the benefits of signing in?
… in to the site and connect a valid CSD licence. You can connect to a CSD licence by either of the following methods: Accessing the CSD web interface from an IPv4 address …
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?
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