keisuke-yanagisawa / exprorer_msmd

MSMD (mixed-solvent molecular dynamics) engine and analysis tools
MIT License
17 stars 4 forks source link

Disulfide bond auto detection #28

Open keisuke-yanagisawa opened 1 year ago

keisuke-yanagisawa commented 1 year ago

Now, information of disulfide bonds must be input by hands. This may cause human-errors. pdb4amber estimates disulfide bonds according to the distance of CYSes and thus we can detect automatically.

https://oosakik.hatenablog.com/entry/2019/11/19/144858#section3