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61 lines
1.8 KiB
HTML
61 lines
1.8 KiB
HTML
<HTML>
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<CENTER><A HREF = "http://www.cs.sandia.gov/~sjplimp/pizza.html">Pizza.py WWW Site</A> - <A HREF = "Manual.html">Pizza.py Documentation</A> - <A HREF = "Section_tools.html">Pizza.py Tools</A>
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</CENTER>
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<HR>
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<H3>vmd tool
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</H3>
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<P><B>Purpose:</B>
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</P>
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<P>Control VMD from python.
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</P>
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<P><B>Description:</B>
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</P>
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<P>The vmd tool is a simple wrapper on the <A HREF = "http://www.ks.uiuc.edu/Research/vmd">VMD visualization
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package</A>, a popular tool for visualizing snapshots from molecular
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dynamics simulations.
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</P>
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<P>The vmd constructor invokes VMD in its own window. Data can be passed
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to it for visualization via the new(), data(), replace(), and append()
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methods. The other methods permit more specialized interactions with
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VMD through its command syntax.
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</P>
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<P><B>Usage:</B>
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</P>
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<PRE>v = vmd() start up VMD
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v.stop() shut down VMD instance
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v.clear() delete all visualizations
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</PRE>
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<PRE>v.rep(style) set default representation style. One of
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(Lines|VDW|Licorice|DynamicBonds|Points|CPK)
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v.new(file[,type]) load new file (default file type 'lammpstrj')
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v.data(file[,atomstyle]) load new data file (default atom style 'full')
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v.replace(file[,type]) replace current frames with new file
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v.append(file[,type]) append file to current frame(s)
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v.set(snap,x,y,z,(True|False)) set coordinates from a pizza.py snapshot to new or current frame
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</PRE>
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<PRE>v.frame(frame) set current frame
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v.flush() flush pending input to VMD and update GUI
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v.read(file) read Tcl script file (e.g. saved state)
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</PRE>
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<PRE>v.enter() enter interactive shell
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v.debug([True|False]) display generated VMD script commands?
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</PRE>
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<P><B>Related tools:</B>
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</P>
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<P><A HREF = "gl.html">gl</A>
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</P>
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<P><B>Prerequisites:</B>
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</P>
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<P>Python pexpect package.
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</P>
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</HTML>
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