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According to the documentation, genbox:<br><br>
"3) Insert a number (<font face="Courier New, Courier">-nmol) of
extra molecules (-ci) at random positions. The program iterates until
nmol molecules have been inserted in the box. To test whether an
insertion is successful the same VanderWaals criterium is used as for
removal of solvent molecules. When no appropriately sized holes (holes
that can hold an extra molecule) are available the program tries for
-nmol * -try times before giving up. Increase -try if you have several
small holes to fill"<br><br>
</font>Are these features actually implemented in 3.1.4?<br><br>
Reason I ask is while inserting multiple molecules into a box, some end
up practically on top of each other and are impossible to em. And
when you are inserting a lot of molecules into a box, with long chains,
it can take some time to find a box version that is suitable to
use.<br><br>
Catch ya,<br>
<x-sigsep><p></x-sigsep>
<b>Dr. Dallas Warren<br>
</b><i>Research Fellow<br>
</i>Department of Pharmaceutical Biology and Pharmacology<br>
Victorian College of Pharmacy<br>
Monash University<br>
381 Royal Parade<br>
Parkville VIC 3010<br>
<font color="#0000FF"><u>dallas.warren@vcp.monash.edu.au<br>
</u></font>+61 3 9903 9076</html>