Grantlab / bio3d / issues / #769 - Side chain Dihedral PCA — Bitbucket

Issue #769 new

Akash Pandya created an issue 2020-09-02

Hi, is there anyway of calculating the side chain dihedral PCA in Bio3d? I have side chain dihedral data for (Chi1, Chi2, Chi3 and Chi4) from Gromacs. Is there a way I can use this data to calculate the dihedral PCA in Bio3d? I’ve come across the function pca.tor?

Comments (3)

Akash Pandya reporter
- marked as minor
- 2020-09-03T08:31:13+00:00
Akash Pandya reporter
- edited description
- 2020-09-04T08:27:24+00:00
Xinqiu Yao
Hi,

‌

Yes, pca.tor() should be the right function. Let me know if you have any problems.
- 2020-09-10T14:58:27+00:00
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