Open corbinsblack opened 1 year ago
Hi! New to this. I'm able to run protein-only structures without issue. However, if I don't specify a ligand file it is ignored in the output. When I try to include the mol2 file, I get this error:
{ "metrics": { "rusage": { "ru_utime": 0.63, "ru_stime": 0.07, "ru_maxrss": 64492, "ru_ixrss": 0, "ru_idrss": 0, "ru_isrss": 0, "ru_minflt": 21299, "ru_majflt": 0, "ru_nswap": 0, "ru_inblock": 0, "ru_oublock": 8, "ru_msgsnd": 0, "ru_msgrcv": 0, "ru_nsignals": 0, "ru_nvcsw": 9, "ru_nivcsw": 20 }, "runtime_in_seconds": 0.68, "disk_storage_in_bytes": 3797577, "exit_code": 1 } }
the phospholipid is attached and found here: https://www.rcsb.org/ligand/PGW and here: https://www.chemspider.com/Chemical-Structure.4446626.html?rid=3104af36-b097-4540-8a78-2de43818c844&page_num=0
thanks!
Hi! New to this. I'm able to run protein-only structures without issue. However, if I don't specify a ligand file it is ignored in the output. When I try to include the mol2 file, I get this error:
{ "metrics": { "rusage": { "ru_utime": 0.63, "ru_stime": 0.07, "ru_maxrss": 64492, "ru_ixrss": 0, "ru_idrss": 0, "ru_isrss": 0, "ru_minflt": 21299, "ru_majflt": 0, "ru_nswap": 0, "ru_inblock": 0, "ru_oublock": 8, "ru_msgsnd": 0, "ru_msgrcv": 0, "ru_nsignals": 0, "ru_nvcsw": 9, "ru_nivcsw": 20 }, "runtime_in_seconds": 0.68, "disk_storage_in_bytes": 3797577, "exit_code": 1 } }
the phospholipid is attached and found here: https://www.rcsb.org/ligand/PGW and here: https://www.chemspider.com/Chemical-Structure.4446626.html?rid=3104af36-b097-4540-8a78-2de43818c844&page_num=0
thanks!