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RosettaCommons / RFdiffusion

Code for running RFdiffusion
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Contigmap in Motif Scaffolding #97

Open plvdac1 opened 1 year ago

plvdac1 commented 1 year ago

Hi everyone,

is it possible to specify multiple contigs like: 'contigmap.contigs=[12-20/B14-16/1-5/B18-20/1-5]' when scaffolding a motif? I have an active site which is made by non continous amino acids and I'm trying to fix those residues and diffuse the other. From the instructions seems possible, but I get the following error. Any help is very much appreciated:

_File "/home/shared/RFdiffusion/rfdiffusion/contigs.py", line 258, in expand_sampled_mask int(subcon.split("-")[1]) + 1, IndexError: list index out of range

Set the environment variable HYDRA_FULLERROR=1 for a complete stack trace.

Thanks a lot! ~

h-s-miller commented 1 year ago

^^ also having this issue

Lyn-666 commented 1 year ago

Hi, plvdac1, I have the same issue now, Could you share your solutions here if you have fixed it? Thanks!

ChanceChallacombe commented 1 month ago

I am also having this issue, were you able to find a solution?

Lyn-666 commented 1 month ago

I think you have to check if your the protein length is compatible with the total length of contigmap.contigs

ChanceChallacombe commented 1 month ago

Thanks! In my case it was related to not specifying a range for some of the motif residues. e.x. /A100/ instead of /A100-100/