SSTMap
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Solvation Structure and Thermodynamic Mapping
Hi folks, According to the SSTMap installation process outlined on http://sstmap.org/2019/12/06/getting-started/, I encountered the following issues during the final step of executing 'python setup.py install': `error: command '/home/WORKSPACE/soft/anaconda3/envs/sstmap_py36/bin/x86_64-conda-linux-gnu-cc' failed with...
Hi, I get an error "ZeroDivisionError: float division by zero" when I run on python console: ``` >>>gist=sm.GridWaterAnalysis("npt_nojump_protmasshoh.gro","md_0_10_protmass_hoh_nojump.xtc",supporting_file="topol_protmasshoh.top",ligand_file="docking/curcumin_bondnorot_model1.pdb",grid_dimensions=[40, 40, 40],prefix="cur") >>> gist.calculate_grid_quantities() Traceback (most recent call last): File "", line...
Hello, at last step _python setup.py install_ , an error occurs: RuntimeError: Missing setup required dependencies: cppy. Installing through pip as recommended ensure one never hits this issue. How to...
I follow all the instructions given in installation webpage. http://sstmap.org/2019/12/06/getting-started/. it return following Error. **running build_ext building '_sstmap_ext' extension creating build/temp.linux-x86_64-cpython-310 creating build/temp.linux-x86_64-cpython-310/sstmap gcc -pthread -B /home/debanjan/miniconda3/compiler_compat -Wno-unused-result -Wsign-compare -DNDEBUG...
Method typing correction in _sstmap_probable.cpp. Translational entropy calculation correction in kdhsa102.cpp