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 tabulate geometric parameters after a search has been run?
… Any geometric parameters you want tabulated must be specified in the Draw window before the search is run (via the Add 3D option). Defined parameters can …
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Is it possible to specify stereochemical configuration when constructing a query using the sketcher?
… refinement or Rogers' eta parameter; the parameter is not recorded) Internal comparison Refinement of the Flack parameter (no value of the parameter or reference to use …
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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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GOLD fails to recognise the metal in my metal-containing enzyme
… GOLD has parameters for a number of metals found in proteins but only the following metals are included: Mg, Zn, Mn, Fe, Ca, Co, Gd, Cu, Hg, Cd, Ni and V …
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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 …
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Why does Mercury not generate an ESD for a particular bond length, angle, torsion or other measurement in my structure?
… Mercury provides the tabulation of measured and standard molecular geometric parameters, along with estimated standard deviations (ESDs) for those values …
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Other than the library size, are there any other major factors that influence the docking time?
… parameters …
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Why is my search taking so long?
… symmetry (e.g. t-butyl); these can take a very long time indeed, especially if 3D parameters are being calculated. Substructure searches for groups that contain only …
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What data can I download from the CCDC?
… - where cell parameters are reported, or- a powder study, where cell parameters, atomic coordinates and constrained refinement (e.g. Rietveld) are reported …
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How do I view anisotropic displacement parameters (ADPs) for CSD entries?
… Anisotropic displacement parameters (ADPs – also called thermal ellipsoids) can be viewed directly from the Mercury visualiser window. The ADPs can be seen …
Top Support Solutions
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- How should I reference GOLD?
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