The problem hasn't been solved
Hi there,
An attempt to compile rosetta using a later version of gcc (8.5.0) failed during compilation.(Your compiler does not have full support for C++ll regex, and therefore can't suport RegEx_based_CDR_Detector/antitody grafting. | RosettaCommons)
Hi there,
One problem with the initial use of antibody application is that there is complie issue shown as the following:
I've done some ligand docking using cognate ligands, so used the starting coordinates of the input sdf file. I now want to dock some analogues and want to use the same starting coordinates. Is there a way to find what coordinates were used for the initial docking?
Thanks
I am having an error while running RFDiffusion.
I don't know where is the
RuntimeError: CUDA out of memory. Tried to allocate 60.00 MiB (GPU 0; 1.95 GiB total capacity; 931.08 MiB already allocated; 25.00 MiB free; 984.00 MiB reserved in total by PyTorch)
Is RosettaDock able to perform small molecule docking to protein? I have a PDB file containing a small molecule with the exepcted 'HETATM' record and containing the protein chains I'd like to dock it to labeled with the expected 'ATOM' record. It looks like RosettaDock-4.0 doesn't recognize HETATM records as selectable chains to perform docking with.
Thanks,
Dustin
Hello ROSIE and FARFAR2 team,
I've been trying to submit a RNA structure prediction using FARFAR2 and it is not working. Namely, when I press to submit the job, the submitting window pops up and it never submits the job. I tried changing the computer and browser, but unfortunatelly the "error" still remains.
Thank you very much for your attention.
Hi ROSIE and FARFAR2 team,
Hi,
I am using the energy_based_clustering application to cluster results from a protein-protein global docking job. One of the partners is kept fixed, so I would like to cluster based on the RMSD of the moving partner alone, without any alignment. I assume that the clustering algorithm is aligning the whole structure to minimize RMSD. Is this correct? If it is, is there a way to skip the alignment and calculate the RMSD directly from the input structures?
I have run rosie antibody grafting for modelling. The status is finished but I did not get LHOC analysis plot and my H3 modeling stuck in model 0 - 1000. Then, I run it again but I get the same result. What should I do?
I am trying to mutate and relax the 7ah0 pdb using the following xml script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="sfxn" weights="ref2015"/>
</SCOREFXNS>
<RESIDUE_SELECTORS>
<Index name="res1" resnums="388A"/>
<Index name="res2" resnums="389A"/>
<Index name="res3" resnums="390A"/>
<Index name="res4" resnums="391A"/>
<Index name="res5" resnums="392A"/>
