<div dir="ltr"><div>Dear Luc</div><div><br></div>Basically My idea is to use cctbx for generating the unit cell for the small molecule or macromolecule.<div>The two codes I mentioned in my earlier mail, can give us unit cell or 3X3X3 matrix or arrangement of unit cell, but I need to use Pymol and then connect it with the CCTBX.</div>
<div><br></div><div>So I wanted some modification in the code itself so that I can pass the required information (file name and CRYST1 record) and I can get the generated Unit Cell.</div><div><br></div><div>Thanx alot for your timely help and suggestions.�</div>
<div><br></div><div>Regards</div><div>Prasun Kumar</div></div><div class="gmail_extra"><br clear="all"><div>PRASUN (ASHOKA)<br>Desire + stability = Resolution<br>Resolution + Hard work = Success</div>
<br><br><div class="gmail_quote">On Thu, Mar 21, 2013 at 3:09 PM, Luc Bourhis <span dir="ltr"><<a href="mailto:luc_j_bourhis@mac.com" target="_blank">luc_j_bourhis@mac.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div style="word-wrap:break-word">Hi Prasun,<div><br></div><div>sorry for answering with a bit of a delay.<div class="im"><br><div><br><blockquote type="cite"><div dir="ltr"><div><font face="Courier"><span style="border-collapse:collapse"><span style="font-size:large">Now I am searching for the code which can give me the filled unit cell or matrix (3X3X3) of unit cell.</span></span></font></div>
</div></blockquote><br></div></div></div><div>Could you elaborate on what you want to do in more details? The two PyMol modules you mention provide many features and I am not sure exactly which one you are interested in.</div>
<div><br></div><div>Best wishes,</div><div><br></div><div>Luc</div><div><br></div></div><br>_______________________________________________<br>
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