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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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… GoldMine has been superseded by the development of GOLD in the CSD Python API and is no longer supported.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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Installing Mercury in a computer lab
… uk.ac.cam.ccdc.csd.mercury -root sets the root installation folder, in this case /local/myinstall -c confirms the start of the installation with no user input …
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