Msms surface
Appearance
|
Included in psico | |
| Module | psico.msms |
|---|---|
msms_surface calculates a molecular surface with MSMS and loads it into PyMOL as a CGO.
Installation
[edit]msms_surface is available from the psico package and requires the msms binary.
All dependencies are available from Anaconda Cloud:
conda install -c schrodinger pymol conda install -c schrodinger pymol-psico conda install -c bioconda -c speleo3 msms
Usage
[edit]msms_surface [ selection [, state [, density [, name
[, atomcolors [, exe [, preserve ]]]]]]]
Arguments
[edit]- selection = str: atom selection {default: polymer}
- state = int: object state {default: 1}
- density = float: MSMS surface point density {default: 3}
- name = str: name of CGO object to create
- atomcolors = 0/1: color surface by atom colors {default: 0}
- exe = str: path to msms binary {default: find in $PATH}
- preserve = 0/1: don't delete msms generated files {default: 0}
Examples
[edit]Use atom colors:
import psico.msms fetch 1ubq, async=0 msms_surface atomcolors=1
Use a solid color:
msms_surface name=bluesurf color blue, bluesurf