Hi Hélène,
Justin Douglas, a member of this list, has pointed out that the review describing an Xplor-NIH Python script is already out: https://link.springer.com/protocol/10.1007%2F978-1-4939-7386-6_14 Best, Guillermo ________________________________ From: "Hélène Déméné" <[email protected]> Sent: Tuesday, November 21, 2017 5:11 AM To: [email protected] Subject: [Xplor-nih] question about the energy parameter initialization in python scripts Hi every body I am not very familiar with python, and I get confused about the use of the command rampledParam in the python scripts, because they are repeated several times, with different values. For example, in the eginput/saxs_EI script, there are two consecutive command lines: rampedParam.append(MultRamp(0.9,0.8 "xplor command ('param nbonds repel VALUE end end')")) and then, just after: rampedParam.append(MultRamp(0.04,4, "xplor command ('param nbonds repel VALUE end end')")) Which line is taken into account? and if both are, when and why this one specifically? Thank you for any input Hélène Déméné, PhD Centre de Biochimie Structurale UMR 5048, INSERM 1054, Université de Montpellier 29, rue de Navacelles 34090 Montpellier Cedex France Tel: +33 (0) 4 67 41 77 01 Fax: +33 (0) 4 67 41 79 13 e-mail: [email protected] -- This message has been scanned for viruses and dangerous content by MailScanner, and is believed to be clean. _______________________________________________ Xplor-nih mailing list [email protected] https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih Xplor-nih Info Page<https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih> dcb.cit.nih.gov To see the collection of prior postings to the list, visit the Xplor-nih Archives. Using Xplor-nih: To post a message to all the list members ...
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