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lmdu / dockey

an integrated tool for molecular docking and virtual screening
https://dockey.readthedocs.io
MIT License
47 stars 8 forks source link

pose visualization and PLIF analysis #13

Closed kathyli2023 closed 7 months ago

kathyli2023 commented 7 months ago

cannot show the docking poses in the PyMOL Sidebar cannot analyze the interactions

lmdu commented 7 months ago

Have you installed openbabel on your machine? If yes, you should uninstall it and restart computer. Otherwise, you can provide the .dock project file for me to test.

kathyli2023 commented 7 months ago

Please check the attached file. Thanks.

Yan,Li Associate Professor Department of Medicinal Chemistry, School of Pharmacy Fudan University 826 Zhangheng Road,Shanghai 201203 P.R.China TEL: 13917945784 -----原始邮件----- 发件人:"Lianming Du" @.> 发送时间:2023-11-11 11:54:18 (星期六) 收件人: lmdu/dockey @.> 抄送: "Yan Li" @.>, Author @.> 主题: Re: [lmdu/dockey] pose visualization and PLIF analysis (Issue #13)

Have you installed openbabel on your machine? If yes, you should uninstall it and restart computer. Otherwise, you can provide the .dock project file for me to test.

— Reply to this email directly, view it on GitHub, or unsubscribe. You are receiving this because you authored the thread.Message ID: @.***>

lmdu commented 7 months ago

I am sorry, I could not find you attached file. Could you send me the file on github web page. Thanks.

kathyli2023 commented 7 months ago

Please check the attached file. [Uploading vs-01.zip…]()

lmdu commented 7 months ago

I have clicked the link, but can not download the file. You can send me the file to my email adullb@qq.com.