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 associate raw data stored with another repository to my deposited structures?
… The CCDC does not currently store raw data files. However, if you have deposited your raw data files with another repository and have a DOI link …
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Why do I get a pop up window when starting ConQuest that says "Some Anti-Virus Software stop ConQuest from starting its search engine..."?
… to permissions issues with the directories that ConQuest uses to store temporary files.The simplest solution is to remove these temporary files and force ConQuest …
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Software Activation is failing because it fails to access the internet using my proxy server
… to your activation command: -p, --proxy Specify an explicit proxy. The proxy format should …
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What is the naming convention for ligand output files?
… for the first ligand, m2 for the second, etc. Please note that the file gold_soln__m1_1.mol2 is not necessarily the best GOLD prediction, it is only …
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Does GOLD calculate or use atomic charges?
… . For further information, please refer to the GOLD documentation. Formal charges will be output to the saved protein.mol2 file and to the GOLD docking poses. …
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How are 2D chemical diagrams generated during the deposition process?
… 2D chemical diagrams are automatically generated by our internal processing system (CSD-Xpedite) using the 3D coordinates in the deposited files. The system …
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I installed the CSD Portfolio with the Windows offline installer and the software is complaining that it can't find the data
… Due to Windows having a limit of 4 GB for an executable file, it is not possible to create an offline installer that will install both software and data …
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Is it possible to use SuperStar for database screening?
… of these points are stored in a file and can, for example, be used to set up pharmacophore-based searches. …
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Can I get access to structure factor data associated with a structure?
… . The third option will supply the deposited CIF and any other files included with the deposition that include structure factor data (typically .hkl or .fcf files …
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Can I modify the scoring functions in GOLD?
… the GoldScore, ChemScore, ASP and ChemPLP fitness function parameters within the relevant parameter files. These parameter files are stored in the GOLD distribution …
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