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Merge pull request #238 from diogomart/fix-docs-links
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fix link to readthedocs, fix cli help msg
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rwxayheee authored Nov 12, 2024
2 parents c938ebd + 2a66e8b commit 27a1925
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6 changes: 3 additions & 3 deletions README.md
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[![API stability](https://img.shields.io/badge/stable%20API-no-orange)](https://shields.io/)
[![PyPI version fury.io](https://img.shields.io/badge/version-0.6.0-green.svg)](https://pypi.python.org/pypi/meeko/)
[![Documentation Status](https://readthedocs.org/projects/meeko/badge/?version=readthedocs)](https://meeko.readthedocs.io/en/readthedocs/?badge=readthedocs)
[![Documentation Status](https://readthedocs.org/projects/meeko/badge/?version=release)](https://meeko.readthedocs.io/en/release/?badge=release)

Meeko prepares the input for AutoDock and processes its output.
It is developed alongside AutoDock-GPU and AutoDock-Vina.
Expand All @@ -16,7 +16,7 @@ at [Scripps Research](https://www.scripps.edu/).

## Documentation

The docs are hosted on [meeko.readthedocs.io](meeko.readthedocs.io)
The docs are hosted on [meeko.readthedocs.io](https://meeko.readthedocs.io/en/release)


## Reporting bugs
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Meeko exposes a Python API to enable scripting. Here we share very minimal examples
using the command line scripts just to give context.
Please visit the [meeko.readthedocs.io](meeko.readthedocs.io) for more information.
Please visit the [meeko.readthedocs.io](https://meeko.readthedocs.io/en/release) for more information.

Parameterizing a ligand and writing a PDBQT file:
```bash
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2 changes: 1 addition & 1 deletion meeko/cli/mk_prepare_receptor.py
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Expand Up @@ -184,7 +184,7 @@ def get_args():
"--flexres",
action="append",
default=[],
help='specify the flexible residues by the chain ID and residue number, e.g. -f ":42,B:23" is equivalent to -f ":42" -f "B:23" (skip chain ID if it is unspecified)',
help='specify the flexible residues by the chain ID and residue number, e.g. -f ":42,B:23" is equivalent to -f ":42" -f "B:23" (leave chain ID empty if omitted in input PDB or mmCIF)',
)

box_group = parser.add_argument_group("Size and center of grid box")
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