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LPDI-EPFL
MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
``` 2022-07-18 09:09:30.240557: I tensorflow/core/platform/cpu_feature_guard.cc:141] Your CPU supports instructions that this TensorFlow binary was not compiled to use: AVX2 FMA ['/masif/source//masif_ppi_search/second_stage_alignment_nn.py', '../../../data/masif_ppi_search', '100', '2000', '1000', 'masif'] Loading patch coordinates for...
Hi I have install StrBioInfo 0.9a0.dev1. However, when I execute line "struct_assembly = struct.apply_biomolecule_matrices()[0]" in "00b-generate_assembly.py ",it show error AttributeError: 'PDBFrame' object has no attribute 'apply_biomolecule_matrices' will this package gets...
i tried the script in docker, ./masif_ligand/data_prepare_one.sh 4ZQK_A and gets the following error Downloading PDB structure '4ZQK'... Traceback (most recent call last): File "/masif/source//data_preparation/00b-generate_assembly.py", line 3, in from SBI.structure import...
Hi, I have tried to run data_prepare_one but I get the following error and the program stops within _ipdb_. ``` MLC02GC4Z3Q05P:masif_site 4464689$ ./data_prepare_one.sh 1AKJ_AB_DE :/Users/4464689/Downloads/masif/source/ Structure exists: '/var/folders/mn/7xx5f6314c1glph1lkt4k_9m002gyq/T/pdb1akj.ent' --Call-- >...
hi, there. I have some questions about the MaSIF-search second-stage, I can't figure out where is the code to generates the complexes like the paper said.It would be great if...
I want to docking two proteins. I just have two momomer,not Homopolymer or Heteromer. # my questions of masif-search pipeline - prepare data for ppi search:when i run data_prepare with...
I tried to install the provided plugin into the software (PyMOL). But I got the error message as following.  It says that the plugin is installed but the initialization...
Dear Masif-Team, thanks for publishing MaSIF as open-source :-) I find the PyMol plugin very useful, and I would like to use it also for general visualization tasks. However, I...
