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RINRUS
Home
Installation
Quickstart tutorial
How to use RINRUS
Structure prep
Driver
1. Active site selection
2. Model construction
3. QM inputs
FSAPT analysis
Output geometry conversion
Individual functions
Arpeggio
MD_batch_rin
RINRUS_driver
Reduce
arpeggio2rins
check_duplicate_models
define_fA_fB
dist_rank
fisapt_analysis
gopt_to_pdb
make_template_pdb
merge_MD_batches
pdb_clean
probe2rins
pymol_protonate
rinrus_trim2_pdb
write_input
xyz_to_pdb
Group notes/to-do
Get RINRUS
Individual functions
RINRUS_driver
This page is supposed to redirect to the
driver page in the usage instructions section
…