[Rdkit-discuss] compiled verion of freeSASA
Open-Source Cheminformatics and Machine Learning
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From: Bastian S. <bas...@ex...> - 2017-11-13 13:46:10
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Dear RDkitters, regarding the answer of my last question: "The conda builds for linux and the mac should have freeSASA support enabled. At the time we made the release there was a problem building the code on Windows, so that wasn't there yet. You can test that it's there by doing: from rdkit.Chem import rdFreeSASA (...)" I tried to import rdFreeSASA this way. I still try to run it through conda, my rdkit package is the 2017.09.01 py36_1 version. But if I try to import rdFreeSASA it´s just an unresolved reference. So might it possible, FreeSASA is not compiled in this package version? Do I have to compile it myself? Best Wishes Bastian Seifert This message and any attachment are confidential and may be privileged or otherwise protected from disclosure. If you are not the intended recipient, you must not copy this message or attachment or disclose the contents to any other person. If you have received this transmission in error, please notify the sender immediately and delete the message and any attachment from your system. Merck KGaA, Darmstadt, Germany and any of its subsidiaries do not accept liability for any omissions or errors in this message which may arise as a result of E-Mail-transmission or for damages resulting from any unauthorized changes of the content of this message and any attachment thereto. Merck KGaA, Darmstadt, Germany and any of its subsidiaries do not guarantee that this message is free of viruses and does not accept liability for any damages caused by any virus transmitted therewith. Click http://www.merckgroup.com/disclaimer to access the German, French, Spanish and Portuguese versions of this disclaimer. |