Msms surface: Difference between revisions
Jump to navigation
Jump to search
(created) |
(-c speleo3) |
||
Line 9: | Line 9: | ||
[[msms_surface]] is available from the [[psico]] package and requires the [http://mgltools.scripps.edu/downloads#msms msms] binary. | [[msms_surface]] is available from the [[psico]] package and requires the [http://mgltools.scripps.edu/downloads#msms msms] binary. | ||
All dependencies are available from [https://anaconda.org Anaconda Cloud]: | |||
conda install -c schrodinger pymol | conda install -c schrodinger pymol | ||
conda install -c schrodinger pymol-psico | conda install -c schrodinger pymol-psico | ||
conda install -c bioconda msms | conda install -c bioconda -c speleo3 msms | ||
== Usage == | == Usage == |
Latest revision as of 13:38, 17 October 2017
Included in psico | |
Module | psico.msms |
---|
msms_surface calculates a molecular surface with MSMS and loads it into PyMOL as a CGO.
Installation
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
msms_surface [ selection [, state [, density [, name [, atomcolors [, exe [, preserve ]]]]]]]
Arguments
- 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
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