SURFNET: Difference between revisions

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1. Create your surfaces in "CCP4" format in SURFNET.
1. Create your surfaces in "CCP4" format in SURFNET.


Aside: SURFNET can be compiled against ccp4 version 5 and 6 libraries by following the instructions in the SURFNET distribution and modifiying the link lines at the end of <tt>ccp4link.scr</tt> to replace  
<pre>
Aside: SURFNET can be compiled against ccp4 version 5 and 6 libraries  
by following the instructions in the SURFNET distribution and modifiying  
the link lines at the end of ccp4link.scr to replace  


<tt>
$CLIB/libccp4.a  
$CLIB/libccp4.a  
</tt>


with  
with  


<tt>
$CLIB/libccp4f.a $CLIB/libccp4c.a
$CLIB/libccp4f.a $CLIB/libccp4c.a
</tt>
</pre>


2. Use [http://xray.bmc.uu.se/gerard Gerard Kleywegt]'s mapman from the [http://alpha2.bmc.uu.se/usf/ USF] [http://alpha2.bmc.uu.se/usf/rave.html RAVE] package to convert the CCP4 density map to XPLOR format
2. Use [http://xray.bmc.uu.se/gerard Gerard Kleywegt]'s mapman from the [http://alpha2.bmc.uu.se/usf/ USF] [http://alpha2.bmc.uu.se/usf/rave.html RAVE] package to convert the CCP4 density map to XPLOR format
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e.g. in a shell on LINUX:
e.g. in a shell on LINUX:


<tt>
<pre>
$ lx_mapman
$ lx_mapman


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MAPMAN > WRITE map1 gaps.xplor XPLOR  
MAPMAN > WRITE map1 gaps.xplor XPLOR  
</tt>
</pre>
 


3. Open the XPLOR map in PyMol
3. Open the XPLOR map in PyMol
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4. Generate a mesh or surface object from the map using isomesh or isosurface.
4. Generate a mesh or surface object from the map using isomesh or isosurface.


e.g. on the PyMol command line
e.g. on the PyMol command line:


<tt>
<pre>
isomesh gaps_mesh gaps 100.0
isomesh gaps_mesh gaps 100.0
</tt>
</pre>
 
[[Category:Third_Party_Software]]

Revision as of 04:20, 4 August 2006

A recipe for reading surfaces from Roman Laskowski's SURFNET program (for finding cavities in macromolecules) into PyMol for visualisation.

1. Create your surfaces in "CCP4" format in SURFNET.

Aside: SURFNET can be compiled against ccp4 version 5 and 6 libraries 
by following the instructions in the SURFNET distribution and modifiying 
the link lines at the end of ccp4link.scr to replace 

$CLIB/libccp4.a 

with 

$CLIB/libccp4f.a $CLIB/libccp4c.a

2. Use Gerard Kleywegt's mapman from the USF RAVE package to convert the CCP4 density map to XPLOR format

e.g. in a shell on LINUX:

$ lx_mapman

MAPMAN > READ map1 gaps.den

MAPMAN > WRITE map1 gaps.xplor XPLOR 

3. Open the XPLOR map in PyMol

4. Generate a mesh or surface object from the map using isomesh or isosurface.

e.g. on the PyMol command line:

isomesh gaps_mesh gaps 100.0