USalign 的错误提示建议

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Posts: 7
Joined: Tue May 11, 2021 1:42 am

USalign 的错误提示建议

Post by liyangum »

当pdb文件中不存在C3‘原子时,USalign给出的错误提示是cannot parse file xxx Chain number 0. 这个似乎没问题,但是我想一个可能更好的提示是 C3‘ does not exist in your pdb files.
Posts: 49
Joined: Wed Nov 03, 2021 5:59 pm

Re: USalign 的错误提示建议

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USalign only reads atoms of interest. For example, for RNA, US-align by default only reads C3', completely ignoring other atoms and non-ATOM lines. This makes impossible for US-align to differentiate if the file does not have atom at all or just not have C3'.
This is for efficiency purpose. Why it is possible to implement your suggestion, it will make US-align slower, which is not advisable.
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