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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Can I measure dihedral angles between planes?
… Yes — planes can be used in distance measurements with other planes, atoms and centroids. Angles between planes can be measured. Also, centroids can be used …
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If I apply a distance or a scaffold constraint, will it always be obeyed?
… No, it will not always be obeyed. If a distance constraint or a scaffold constraint is applied, then a harmonic penalty term is added to the scoring function …
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How should I deal with polymeric structures in CSD Editor?
… The easiest way to deal with polymeric structures is to reduce the relevant bond distance pairs to the metal until the structure is not polymeric. This can …
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Can I search on bonds, angles and torsions involving metals or hydrogen atoms?
… It is possible to search for bond distances involving metals however it is not possible to search for angles and torsions involving metals. No bonds, angles …
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Why does Mercury not generate an ESD for a particular bond length, angle, torsion or other measurement in my structure?
… , in various tabs of the More Info dialogue box (such as Bonds, Distances and All Angles). The calculation of ESDs for any of these measurements within crystal …
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What is the difference between the GoldScore, ChemScore, ASP and ChemPLP scoring functions provided with GOLD?
… values should not be used explicitly as values for binding energy or binding affinity. The ASP fitness function is an atom-atom distance potential derived from …
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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