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The current instability in the library's build process creates a significant challenge as it obstructs the seamless update of versions. Consequently, the latest changes and improvements are unable to …
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自己数据集的sdf文件格式如果不优化的话是会报错吗?
还有用制表符去连接的sdf-sdf-1-refcode 最后的refcode码是不需要的嘛?
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Hi there, thanks for the submission to JOSS. Here are my initial technical comments; I'll post it here so you can control its visibility going forward, but I will link to it in the overall review issu…
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- [x] I believe this to be a bug with Open Babel
- [ ] This is a feature request
## Environment Information
Open Babel version: 2.4.1
Operating system and version: Debian 9.5 running kernel 4.9.…
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## Environment Information
Open Babel version: 2b211d6acfc0f9e1c6746a984da3483b729aa32b
Operating system and version: EndeavourOS
## Expected Behavior
CIF has a Hermann–Mauguin symbol en…
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I feel very uncomfortable to test my code in this case.
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MolSysMT has to give a name to proteins, small molecules, and entities. These names can be extracted from an mmtf file, but what happens with other forms? We probably need to implement in Sabueso the …
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I have found that if a cif file contain ’symmetry_space_group_name_H-M‘ that has '-x,-y,-z' options，the model color will get black when assembly is unitcell，like this
![image](https://user-images.git…
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I ran the setup commands for raw-data and campaign-browser. These had worked a few days ago.
The full log of the setup and import is at http://opencalaccess.org/ccdc/cb_issue_rrk1_log.txt
```
Traceb…