How to Make Homopolymers

Using the powershell prompt, input a makePol string with the following flags

 makePol -n 10 -m Hydroxyethylacrylate -c MHP Rg -p -e experiment_name.csv -s experiment_name.mol -v

Flags: -n number of monomers

-m specifies the monomer (monomers in the monomer library can be entered by name; other monomers can be entered via SMILES string)

-i initiation group (if -i is not used, then the default is Hydrogen)

-t termination group (if -t is not used, then the default is Hydrogen)

-c calculates the specified parameters (LogP, SA, Rg, etc)

-p plots graph of data (graph will automatically appear at end of calculations)

-e exports the data as .csv file in working directory

-s save structure as .mol, .pdb, or .xyz file

-v outputs verbose commentary during calculation