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MolSuperposition

In this Superposition tool, the proper superimposition of the three-dimensional in form of the PDB co-crystal structure will be used. The overlay template can be the in the smiles form with dummy symbol[*].

Installation and Dependencies

install library eigen(for ubuntu)

apt install -y libeigen3-dev

for centOS

sudo yum -y install eigen3-devel

compilation example seeing compile.sh, also you can directly use the complied binary molsuperpos

bash compile.sh

Useage example

running the bash script run.sh

bash run.sh

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