It works like a charm! Absolute genius Eric! Fourth time I have a question with brilliantly helpful answers from USCF. <br><br>Thanks<br>Ahir<br><br><div class="gmail_quote">On Mon, Feb 6, 2012 at 7:55 PM, Eric Pettersen <span dir="ltr"><<a href="mailto:pett@cgl.ucsf.edu">pett@cgl.ucsf.edu</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">I have attached a script that, if you have exactly two models open and they have the same residues, will copy the chi angles of the lower-numbered model into the higher-numbered model. You can run the script simply by opening it with File->Open.<div>
<br></div><div>--Eric</div><span class="HOEnZb"><font color="#888888"><br><div><span style="text-indent:0px;letter-spacing:normal;font-variant:normal;font-style:normal;font-weight:normal;line-height:normal;border-collapse:separate;text-transform:none;font-size:16px;white-space:normal;font-family:Helvetica;word-spacing:0px"><div style="word-wrap:break-word">
<div style="margin-top:0px;margin-right:0px;margin-bottom:0px;margin-left:0px"><font style="font:normal normal normal 16px/normal Helvetica" face="Helvetica" size="5"> Eric Pettersen</font></div><div style="margin-top:0px;margin-right:0px;margin-bottom:0px;margin-left:0px">
<font style="font:normal normal normal 16px/normal Helvetica" face="Helvetica" size="5"> UCSF Computer Graphics Lab</font></div><div style="margin-top:0px;margin-right:0px;margin-bottom:0px;margin-left:0px">
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</font></div></div></span></div><div></div></font></span></div><br><div style="word-wrap:break-word"><div></div><div><br><div><div>On Feb 6, 2012, at 10:51 AM, Ahir Pushpanath wrote:</div><br><blockquote type="cite">Hello there, I have a question regarding MODELLER in Chimera and the ability of chimera to adjust the model using some inbuilt features quickly(i.e. automatically, instead of interactively)<br>
<br>Firstly, I am trying to model the "holo" form of an enzyme with known apo-form structure. I did this usinig the two independent domains of the apo form as a template (in a bid to get the domains accurate) and for the holo-form closure I used a very similar homologue that has been solved in the holo form. The results were good and I got a decent model that had closed up like the homolog.<br>
<br>However, I noticed that in the model a lot of the sidechains have not been modelled with the right rotamer. This is odd, as I gave it the two independent domains as a template, so it had all the information it needed to get that perfectly right.<br>
<br>Either way, this means, I need to manually "copy" the rotamers from the apo form onto the "holo model", which is time consuming. I know from the homolog that only two or three residues in the active site change rotamer upon apo-holo conformational change. So, I just want an easy way to edit the rotamers in the holo-model to copy the rotamers of the apo-form for all residues.<br>
<br>Is there an easy way to do this, is it possible to this with a script? I have no idea how to script, mind you!<br><br>Ahir<br> _______________________________________________<br>Chimera-users mailing list<br><a href="mailto:Chimera-users@cgl.ucsf.edu" target="_blank">Chimera-users@cgl.ucsf.edu</a><br>
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