pymolPy3

Name	pymolPy3 JSON
Version	0.1.2 JSON
	download
home_page	https://github.com/carbonscott/pymolPy3
Summary	A PyMOL wrapper in Python3.
upload_time	2020-12-18 02:53:37
maintainer
docs_url	None
author	Cong Wang
requires_python	>=3.6
license
keywords	pdb structure biology protein molecular graphics
VCS
bugtrack_url
requirements	No requirements were recorded.
Travis-CI	No Travis.
coveralls test coverage	No coveralls.

            ## What's `pymolPy3`?

The package enables the use of PyMOL commands directly in Python 3 scripts.
NO APIs are requierd.  

The length of source code is only 32 lines, but the example has a size of 29MB.  

What can it do?

[![](examples/thumbnail.png)](https://youtu.be/BGi00Tl-9L4)


## Install `pymolPy3`

`pip install pymolPy3 --user`

## Basic usage

### Initializ pymol

```Python
import pymolPy3

# Launch pymol with GUI
pm = pymolPy3.pymolPy3()
```

OR

```Python
import pymolPy3

# Launch pymol without GUI
pm = pymolPy3.pymolPy3(0)
```

### Load a PDB structure

```Python
pdb = '1f88'

pm(f"load {pdb}.pdb")
```

### Run PyMOL command in `pm()` -- it's a wrapper

```Python
pm(f"...")
#    ~~~
#     |
#     |_______ A string representing PyMOL command.
```

## Examples

The sample script `align.view.py` under the `examples` directory would produces
the figure below.  

![](./examples/align.view.png)



            

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