search

starbeachlab / MutationExplorerServer

3 stars 0 forks source link

PDB 4DLQ pre-minimized error #13

Closed FloSeu closed 10 months ago

FloSeu commented 11 months ago

Reproduction: Load "4DLQ" from PDB. Select "long minimization", enter B:838F:

There was an error: "Relaxation of initial structure failed. Check your input PDB. Calpha only traces can not be handled. RaSP requires side-chains to be present. from add_mutations()"

The PDB is already minimized as stated by the blue message. When I select "short minimization", it works.

890844 https://proteinformatics.uni-leipzig.de/mutation_explorer/status/890844/mut_0_1.pdb/-

MKampfrath commented 10 months ago

When reproducing the input, everything worked just fine for me. So I think this problem should be fixed.