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 add scatterplots for groups which are not included in the standard IsoStar library?
… Yes. IsoGen is the program that was used to calculate the scatterplots in the IsoStar database and it is available to users so that they can calculate …
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I have installed IsoStar as part of the CSD Portfolio. What does it do?
… ) and where the strongest interactions are found (through the display of propensity contours). IsoStar can be invoked through the Mercury interface: right …
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What is CSD-Theory?
… -based interface Store your crystal structure prediction results in a standardised way Access results, including predictions and methods metadata, via CSD …
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Why is CellCheckCSD 1.2 not working with my diffractometer software package?
… their software in order to interface properly with this latest version. If you are experiencing difficulty with CellCheckCSD 1.2 with your diffractomer software, we …
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CSD Python API Citation
… application programming interface (API) R. A. Sykes, N. T. Johnson, C. J. Kingsbury, J. Harter, A. G. P. Maloney, I. J. Sugden, S. C. Ward, I. J. Bruno, S. A. Adcock, P …
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What should I do if My User Details in My Structures are wrong
… In the My Structures service user details can be updated from the ‘Profile’ section of your account at any time. If you would like to revise any of your data …
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How do I obtain GoldMine?
… GoldMine has been superseded by the development of GOLD in the CSD Python API and is no longer supported. Users with established protocols for using GoldMine …
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I do not understand what is meant by a particular error message in enCIFer, so how do I resolve the problem?
… A more detailed explanation of the error messages reported by enCIFer with typical causes is provided in sections 7.9, 7.10 and 7.11 of the enCIFer user guide …
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If I apply a distance or a scaffold constraint, will it always be obeyed?
… to reward poses that satisfy the constraint. The spring constant is set by the user when the constraint is set up. If a low spring constant is used …
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Is there any way to permanently alter the default atomic radii of atoms?
… Mercury uses an internal set of atomic radii. A list of these radii can be found in the Mercury User Guide under the Van der Waals link (Appendix …
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