For questions not addressed by a support solution here, please email email@example.com. Please do include a description of the problem as well as your operating system and version.
What can we help you with?
… during docking in order to optimise hydrogen bonding interactions of these residues with the ligand. The positions of lysine NH3+ groups are similarly optimised …
… that a variety of plausible binding modes of similar score can be retrieved easily. For further information please refer to the GOLD user manual. …
… Determination of Molecular Crystal Structures from Powder Diffraction Data. W. I. F. David, K. Shankland, N. Shankland, Chem. Commun., 931-932, 1998 [DOI …
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 …
… for subsequent scatterplots. Note that the procedure detailed above will be similar but slightly different for later versions of Firefox (e.g. the initial …
… crystallographic binding pose can be reproduced better. The GOLD docking algorithm returns only very similar binding poses. If so, try using the Diverse …
… What are the differences between the Tanimoto and Dice similarity coefficients? …
… listening, and we can connect to it. If there was no server running, you’d expect output similar to: $ telnet pluto 27000telnet: Unable to connect to remote …
… . Taylor, J. Mol. Biol., 267, 727-748, 1997 [DOI: 10.1006/jmbi.1996.0897] Other GOLD publications include: Molecular recognition of receptor sites using a genetic …
… RPluto is a tool for visualising molecular crystal structures, its features include: A range of input file formats (CSD FDAT, SHELX and CIF formats) Data …
Top Support Solutions
- Which platforms are supported?
- What is the difference between the GoldScore, ChemScore, ASP and ChemPLP scoring functions provided with GOLD?
- What are the differences between the Tanimoto and Dice similarity coefficients?
- How does the GOLD licensing system work?
- What is GOLD's "FlexNet Licence Manager" and how does it work?
Newest Support Solutions
- Mogul/MOE Interface Setup Instructions
- How do I select multiple elements for a query atom in a WebCSD substructure search?
- How do I view anisotropic displacement parameters (ADPs) for CSD entries?
- After installing the CSD System software on Ubuntu some desktop shortcuts are blank and when clicked on say they are untrusted