Thank you very much for writing this code, I've been trying to get it to work with a cryo map that i have but so far it hasn't been working so well. Apparently, it fails identifying the linear_blur scaler that is defined in the new cryofold setup script. I've installed meld from conda and got this error and then I tried setting it up from scratch and it still gave the same error so I'm not really sure what I'm missing here. Specifically, I'm getting this error:
home/yoava/anaconda3/envs/meld/lib/python3.9/site-packages/openmm/app/internal/amber_file_parser.py:1102: UserWarning: Non-optimal GB parameters detected for GB model GBn2
warnings.warn(
Traceback (most recent call last):
File "/home/yoava/anaconda3/envs/meld/lib/python3.9/site-packages/meld/system/scalers.py", line 45, in get_constructor_for_key
return ScalerRegistry._scaler_registry[key]
KeyError: 'linear_blur'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "/home/yoava/software/meld/docs/tutorial/cryofold_tutorial/setup_cryofold.py", line 106, in
setup_system()
File "/home/yoava/software/meld/docs/tutorial/cryofold_tutorial/setup_cryofold.py", line 55, in setup_system
blur_scaler = s.restraints.create_scaler(
File "/home/yoava/anaconda3/envs/meld/lib/python3.9/site-packages/meld/system/restraints.py", line 1492, in create_scaler
return ScalerRegistry.get_constructor_for_key(scaler_type)(**kwargs)
File "/home/yoava/anaconda3/envs/meld/lib/python3.9/site-packages/meld/system/scalers.py", line 47, in get_constructor_for_key
raise RuntimeError(f'Unknown scaler type "{key}".')
RuntimeError: Unknown scaler type "linear_blur"
Thanks in advance for any help you can provide with this,
EDIT: Apologies, apparently it had to do with a bad conda env setup. Nevertheless, now I'm getting issues with the plugin installation (it can't seem to find openMM) but the original issue is closed.
Thank you very much for writing this code, I've been trying to get it to work with a cryo map that i have but so far it hasn't been working so well. Apparently, it fails identifying the linear_blur scaler that is defined in the new cryofold setup script. I've installed meld from conda and got this error and then I tried setting it up from scratch and it still gave the same error so I'm not really sure what I'm missing here. Specifically, I'm getting this error:
home/yoava/anaconda3/envs/meld/lib/python3.9/site-packages/openmm/app/internal/amber_file_parser.py:1102: UserWarning: Non-optimal GB parameters detected for GB model GBn2 warnings.warn( Traceback (most recent call last): File "/home/yoava/anaconda3/envs/meld/lib/python3.9/site-packages/meld/system/scalers.py", line 45, in get_constructor_for_key return ScalerRegistry._scaler_registry[key] KeyError: 'linear_blur'
During handling of the above exception, another exception occurred:
Traceback (most recent call last): File "/home/yoava/software/meld/docs/tutorial/cryofold_tutorial/setup_cryofold.py", line 106, in
setup_system()
File "/home/yoava/software/meld/docs/tutorial/cryofold_tutorial/setup_cryofold.py", line 55, in setup_system
blur_scaler = s.restraints.create_scaler(
File "/home/yoava/anaconda3/envs/meld/lib/python3.9/site-packages/meld/system/restraints.py", line 1492, in create_scaler
return ScalerRegistry.get_constructor_for_key(scaler_type)(**kwargs)
File "/home/yoava/anaconda3/envs/meld/lib/python3.9/site-packages/meld/system/scalers.py", line 47, in get_constructor_for_key
raise RuntimeError(f'Unknown scaler type "{key}".')
RuntimeError: Unknown scaler type "linear_blur"
Thanks in advance for any help you can provide with this,