Skip to content
Snippets Groups Projects
Verified Commit 6a1076e9 authored by Xavier Robin's avatar Xavier Robin
Browse files

doc: SCHWED-5783 note about symmetry assignment for RMSD

parent ff84e84c
Branches
Tags
No related merge requests found
...@@ -756,7 +756,9 @@ class LigandScorer: ...@@ -756,7 +756,9 @@ class LigandScorer:
* `lddt_pli`: the lDDT-PLI score value. * `lddt_pli`: the lDDT-PLI score value.
* `rmsd`: the RMSD score value corresponding to the lDDT-PLI * `rmsd`: the RMSD score value corresponding to the lDDT-PLI
assignment. This may differ from the RMSD-based assignment. chain mapping and assignment. This may differ from the RMSD-based
assignment. Note that a different isomorphism than `lddt_pli` may
be used.
* `lddt_bs`: the lDDT-BS score of the binding site. * `lddt_bs`: the lDDT-BS score of the binding site.
* `lddt_pli_n_contacts`: number of total contacts used in lDDT-PLI, * `lddt_pli_n_contacts`: number of total contacts used in lDDT-PLI,
summed over all thresholds. Can be divided by 8 to obtain the number summed over all thresholds. Can be divided by 8 to obtain the number
......
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Please register or to comment