search

GLYCAM-Web / website

A bare-bones repo to contain public website stuff and issues related to the GLYCAM Web Django apps.
4 stars 0 forks source link

"Error in Rotatable_dihedral::" when using GLYCAM evaluation #139

Open ReneRanzinger opened 1 year ago

ReneRanzinger commented 1 year ago

Tool: Glycam structure Evaluation.

Bug Description: Running the structure 

DGalpb1-4[LFucpa1-3]DGlcpNAcb1-3DGalpb1-4DGlcpNAcb1-2DManpa1-6[DKDNpa2-6DGalpb1-4DGlcpNAcb1-2DManpa1-3]DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-OH

in the Glycam API for evaluation I am getting error messages 

Error in Rotatable_dihedral::SetSpecificAngleUsingMetadata; no metadata has been set for:
C1_379_0KN_A_15_?_?_? C2_378_0KN_A_15_?_?_? O6_372_6LB_A_14_?_?_? C6_369_6LB_A_14_?_?_?

Is that problem related to the KDN?

gitoliver commented 1 year ago

This is a gmml level bug. I'll work on it and report back.

gitoliver commented 1 year ago

Pushed a fix to gmml-test. This will be available in deploys after "aimless-abbott" Any linkages from KDN or KDO would throw this error before now. Added a test for it.