AIMorpher

Rigid body transformation and Morphing tool

Help on AIMorpher

python ./src/main.py -h

Usage: main.py [options]

Options: -h, --help show this help message and exit

-i I Initial state input pdb file. For Example: -i ./input/state_initial.pdb

-f F Final state input pdb file. For Example: -f ./input/state_final.pdb

-o O Morphed output pdb file name For example: -o ./output/Morph_Initial_Final.pdb

-n N Total number of intermediate structures to generate

Test Usage with Default Parameters and files provided in example folder

python ./src/main.py

Above will run with the following default parameters.

Input files: 'F_Protein_PRE_STATE_TRIMER.pdb' and 'F_Protein_POST_STATE_TRIMER.pdb'

Output is generated in ./output folder.

./output/Morph_PRE_POST_Transition.pdb

./output/Morph_PRE_POST_Transition.pdb_output_alignment.txt

Number of Intermediate States.

5