QZ Shao

Conda version update

2

Hi, I updated openbabel through conda today (from 3.1.0 Sep 16 2021) and found the version number is still 3.1.0 after the update. I wonder if there is a problem...

Hi! I'm working on projects related to protonating the protein under a specific pH. I found outputs of AlphaFold2 prediction contain hydrogens in the model and I wonder how AlphaFold2...

Add EnzyHTP 2.0 to conda-forge

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Checklist - [x] Title of this PR is meaningful: e.g. "Adding my_nifty_package", not "updated meta.yaml". - [x] License file is packaged (see [here](https://github.com/conda-forge/staged-recipes/blob/5eddbd7fc9d1502169089da06c3688d9759be978/recipes/example/meta.yaml#L64-L73) for an example). - [x] Source is...

Dear PyMol team, I want to select atoms dynamically in a trajectory by judging the distance in every state individually. I found current selection algebra seems cant achieve so, as...

About heating step in OpenMM

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Thanks for the amazing tutorial! It is very helpful! I wonder why in most OpenMM protocols the temperature is directly set to the production temperature? In comparison, most Amber tutorials...

Deepseek团队， 您好！ 我在尝试给我的应用开发Deepseek支持，期间发现我使用的OpenAI python SDK中的Assistant API貌似没有被deepseek支持（OpenAI().beta.assistants）我想询问您是否开发了相关支持？如果没有，是否有开发相关支持的时间线？多谢！ 祝好, QZ

BUG `read_pdbstr` cause program to sleep forever

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## Describe the bug Yesterday I found my calculation was not started after 11 hours. I spend a whole day trace down the problem and found it is caused by...