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?
-
Has GOLD been validated?
… in the following publication: "Pose prediction and virtual screening performance of GOLD scoring functions in a standardized test.", J. W. Liebeschuetz, et al., JCAMD …
-
Why is there a discrepancy between the final fitness score and the calculated fitness score (from individual terms) of a docking performed using the GOLD API?
… Under some circumstances when using the GOLD API there may be a discrepancy between the calculated fitness score and the final fitness score displayed …
-
What is the z-score listed in the summary statistics for each 3D bond and valence angle search result?
… The z-score is the absolute difference between observed and mean values of a geometric parameter divided by the standard deviation of the Mogul distribution …
-
How can I calculate a score per binding site residue?
… It is possible to save scores on a per atom basis whilst docking with GOLD. This can be done by setting the 'per_atom_scores' keyword in the GOLD configuration …
-
Why do I get different fitness scores for consecutive dockings with the same input files?
… Consecutive dockings using the same input files will not give identical solutions or fitness scores. The reason for this is fundamental to the way in which …
-
Managing warning messages from the CSD Python API
… control The function to use is warnings.filterwarnings. To throw an exception whenever a deprecated function is called: import warningswarnings.filterwarnings('error …
-
How is Hermes licenced?
… A CSD-Discovery or CSD-Enterprise licence is required to use all functionality in Hermes, including the link to Mogul or IsoStar, and to use GOLD, SuperStar …
-
What is CSD-Enterprise?
… CSD-Enterprise combines the full functionalities of CSD-Core, CSD-Discovery and CSD-Materials to provide a complete set of knowledge driven tools for research …
-
What are the strengths/weaknesses of similarity searching in WebCSD?
… fewer atoms will also be less well defined, and therefore are more prone to low similarity scores. Finally, no information is stored about chemically related …
-
Searches on macOS with cqbatch from the 2024.1 and later release may fail
… is now deprecated and we would recommend moving to the CSD Python API as this functionality will be removed soon. …
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
- CSD Python API not working on RHEL 9
- ConQuest fails with "ValueError: No JSON object could be decoded" on RHEL 8
- I am trying to activate the free version of Mercury, but the Software Activation Tool says “A valid activation has been detected…”
- How do I ensure I get the best performance from CSD-CrossMiner?
- "Invalid window handle" error when using the CSD Python API on Windows