Comments (8)
lmdu
commented on August 22, 2024
你用的哪一个版本，pdbfixer和pdb2pqr没什么影响，只是有的时候蛋白受体，对接不上，才用来修复
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RuikangSun
commented on August 22, 2024
你用的哪一个版本，pdbfixer和pdb2pqr没什么影响，只是有的时候蛋白受体，对接不上，才用来修复
0.10.2
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lmdu
commented on August 22, 2024
你方便把.dock项目文件发给我调试不呢
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RuikangSun
commented on August 22, 2024
你方便把.dock项目文件发给我调试不呢
非常感谢！我刚刚想到可能是Meeko读取sdf文件的问题，但使用Ligand导入功能，从CHEMBL直接导入，仍然有这种情况。dock文件附上：
https://wormhole.app/0lD7p#bxaQYCkM8DpJeckgy8ya7Q
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lmdu
commented on August 22, 2024
你的电脑是不是安装过openbabel，我看到导入的分子没有获取到信息，如果是的话，这是一个BUG，我还没找到解决办法。只要把安装的openbabel卸载，重启，然后重新导入分子就好了
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RuikangSun
commented on August 22, 2024
你的电脑是不是安装过openbabel，我看到导入的分子没有获取到信息，如果是的话，这是一个BUG，我还没找到解决办法。只要把安装的openbabel卸载，重启，然后重新导入分子就好了
是的，非常感谢！这似乎是是一个动态链接库的问题。先前开启dockey会遇到如图所示的弹窗，卸载openbabel就没有这个弹窗了。但之前没有考虑到Openbabel会导致无法显示pose的问题。
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RuikangSun
commented on August 22, 2024
刚刚测试了一下，尝试卸载OpenBabel，重装Dockey，重启电脑，重新提交任务，可以正常使用了。
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lmdu
commented on August 22, 2024
好的，这个我还在寻求方法解决，目前只能卸载openbabel
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Related Issues (20)
- win 10系统，导入数据后，程序并未启动，进程一直都是0 HOT 1
- run autodock failed HOT 1
- the job is failed HOT 2
- pose visualization and PLIF analysis HOT 5
- docking pose not in the defined binding pocket HOT 4
- 使用内置pymol求对接前后配体的RMSD值时，出现问题 HOT 2
- 是否可以将所有配体成功的配对信息统一导出 HOT 1
- Precomputed docking poses HOT 1
- 无法正常进行对接 HOT 1
- Is it possible to install dockey into a conda environment? HOT 1
- failure HOT 1
- Progress为100%，但status为Running HOT 1
- After docking finished, I can't see the best docked poses HOT 1
- 对接失败 HOT 1
- AttributeError: member babel_type not found HOT 3
- Hello, why can't I import pdb file
- 无法导入受体结构 HOT 1
- 无法运行程序 HOT 3
- (MacOS) AttributeError: member babel_type not found HOT 2
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