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[PyMOL] Distances and Python scripts
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From: Xavier H. <xav...@un...> - 2007-06-18 09:42:50
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<big><font face="Arial">Hi all,<br>
<br>
I have 2 problems regarding the distance command and python scripting:<br>
<br>
<b>1/</b> I would like to use a script in order to print in a file the
results of this following command: <br>
distance dist6, (/MyProt/MyProt/A/181/N),
(/MyProt/MyProt/A/*/N), 6.0<br>
This command displays distances and dash lines between </font></big><big><font
face="Arial">the N atom of residue 181 and </font></big><big><font
face="Arial">all the N atoms of MyProt which are at <6Ang. How do I
have to write a Python script to get the results in a text file that
will look like:<br>
/MyProt/MyProt/A/181/N </font><font face="Arial">/MyProt/MyProt/A/180/
4.856<br>
/</font><font face="Arial">MyProt/MyProt/A/181/N </font><font
face="Arial">/MyProt/MyProt/A/182/ 3.956<br>
/</font><font face="Arial">MyProt/MyProt/A/181/N </font><font
face="Arial">/MyProt/MyProt/A/78/ 5.562<br>
</font></big><font size="+1"><font face="Arial">/</font></font><big><font
face="Arial">MyProt/MyProt/A/181/N </font><font face="Arial">/MyProt/MyProt/A/105/
2.863<br>
... ?<br>
<br>
<br>
</font></big><font face="Arial"><big><b>2/ </b>How do I have to write
a python script to measure all the N-N distances in my protein and to
print the results in a text file that will look like:<br>
</big></font><big><font face="Arial">/MyProt/MyProt/A/1/N </font><font
face="Arial">/MyProt/MyProt/A/2/ 4.856<br>
/</font><font face="Arial">MyProt/MyProt/A/1/N </font><font
face="Arial">/MyProt/MyProt/A/3/ 3.956<br>
/</font><font face="Arial">MyProt/MyProt/A/1/N </font><font
face="Arial">/MyProt/MyProt/A/4/ 5.562<br>
...<br>
</font></big><font face="Arial"><big> </big></font><big><font
face="Arial"> /MyProt/MyProt/A/2/N </font><font face="Arial">/MyProt/MyProt/A/1/
3.857<br>
/</font><font face="Arial">MyProt/MyProt/A/2/N </font><font
face="Arial">/MyProt/MyProt/A/3/ 7.249<br>
/</font><font face="Arial">MyProt/MyProt/A/2/N </font><font
face="Arial">/MyProt/MyProt/A/4/ 8.762<br>
... ?<br>
Furthermore, would it be possible to add a limit for these distances ?
For exemple, only get the N-N distances in MyProt which are <7Ang. ?<br>
<br>
Thanks for your help.<br>
Sincerely,<br>
<br>
Xavier.<br>
</font></big><big><font face="Arial"> </font></big><br>
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<p class="MsoNormal" style="margin-bottom: 4pt;"><b style=""><span
style="font-size: 10pt; font-family: Arial; color: rgb(95, 95, 95);">Xavier
HANOULLE, Ph.D.<o:p></o:p></span></b></p>
<p class="MsoNormal" style="margin-bottom: 2pt;"><span
style="font-size: 10pt; font-family: Arial; color: rgb(95, 95, 95);">UMR
8576 CNRS–USTL<br>
Structural and Functional Glycobiology Unit<span class="SpellE"></span><br>
NMR Laboratory<br>
59655 Villeneuve d’Ascq Cedex - France<o:p></o:p></span></p>
<span
style="font-size: 10pt; font-family: Arial; color: rgb(95, 95, 95);">Phone:
+33 (0)3.20.33.72.41<br>
E-mail : <a href="mailto:xav...@un...">xav...@un...</a>
<br>
www: <a href="http://groupe-rmn-modelisation.univ-lille1.fr/">http://groupe-rmn-modelisation.univ-lille1.fr</a><span
style=""> <br>
</span></span><br>
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