haddock-restraints 0.11.1

Generate restraints to be used in HADDOCK
Documentation
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
# Generate unambiguous restraints to keep molecules together during docking

In some scenarios, you might be docking proteins that contain
**structural gaps**, but you still want to keep the molecules and ligands
in their place together during the docking process. This is where the
`restraint` subcommand comes in handy.

It will generate **unambiguous restraints** to keep the molecules
together during docking.

## Usage

To run the `restraint` subcommand, you just need to provide the path to
the PDB file. For example:

```bash
haddock-restraints restraint path/to/complex.pdb > unambig.tbl
```