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More information in README (main ProDy)
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karolamik13 committed Oct 10, 2023
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Expand Up @@ -79,8 +79,12 @@ and can be compiled as a python module “hpb.so” which is then used by ProDy.
Files for compilation are localized at ~/prody/proteins/hpbmodule folder and
required C++ and Fortran compiler. After compilation hpb.so file can be
storage in ~/prody/proteins folder in ProDy or in the local directory which
is used to perform calulations.
C++ code was developed by Xin Cao and Fortran code by Xin Cao, Michelle H. Hummel,
Bihua Yu, and Evangelos A. Coutsias (License in ~/prody/proteins/hpbmodule
folder). Details of the method can be found in the Supplementary Material of
InSty manuscript (soon will be submited for publication).
is used to perform calulations. The precompiled versions for Python 2.7,
3.8, 3.9, and 3.10 are availabe in ~/prody/proteins/hpbmodule. The user can
choose the correct version of hpb.so and copy to the ~/prody/proteins or
local directory.
C++ code of hpb.so was developed by Xin Cao and Fortran code by Xin Cao,
Michelle H. Hummel, Bihua Yu, and Evangelos A. Coutsias (License in
~/prody/proteins/hpbmodule folder). Details of the method can be found
in the Supplementary Material of InSty manuscript
(soon will be submited for publication).

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