brian-hongyan / deepcosi Goto Github PK
View Code? Open in Web Editor NEWDeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.
DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.
Hi, when I run python codes/DeepCoSI_prediction.py pro.pdb pro_out, there is a error:
Processing PDB...
Done process.
Detecting cysteines...
3 cysteine(s) detected.
Generating pockets...
ModuleCmd_Load.c(213):ERROR:105: Unable to locate a modulefile for 'chimera'
ModuleCmd_Load.c(213):ERROR:105: Unable to locate a modulefile for 'chimera'
ModuleCmd_Load.c(213):ERROR:105: Unable to locate a modulefile for 'chimera'
Generating pockets done.
Loading previously saved dgl graphs and corresponding data...
Load model ./codes/DeepCoSI_model_v1.pth
number of parameters : 1729471
Traceback (most recent call last):
File "codes/DeepCoSI_prediction.py", line 190, in <module>
test_true = np.concatenate(np.array(test_true), 0).flatten()
File "<__array_function__ internals>", line 6, in concatenate
ValueError: need at least one array to concatenate
I have installed the chimera1.13, The error is still there.
Thanks!
Hello!
Working on an M1 mac and I have problems in installing the tool using conda.
Basically, lots of packages are not found.
Like this:
ResolvePackageNotFound:
- openssl==1.1.1k=h7f98852_1
- pysocks==1.7.1=py36h06a4308_0
- cryptography==3.4.7=py36hd23ed53_0
- xorg-xextproto==7.3.0=h7f98852_1002
- cairo==1.16.0=h18b612c_1001
- libpng==1.6.37=hbc83047_0
- ........
As anyone had similar issues and found solutions?
Many thanks
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