<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">...and if you are getting the Mol2 file from Amber, try to get a PDB file instead.<div><br></div><div>--Eric</div><div><br><span class="Apple-style-span" style="font-size: 16px; "> Eric Pettersen</span><br><div><span class="Apple-style-span" style="border-collapse: separate; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 16px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; -webkit-text-decorations-in-effect: none; text-indent: 0px; -webkit-text-size-adjust: auto; text-transform: none; orphans: 2; white-space: normal; widows: 2; word-spacing: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font face="Helvetica" size="5" style="font: normal normal normal 16px/normal Helvetica; "> UCSF Computer Graphics Lab</font></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font face="Helvetica" size="5" style="font: normal normal normal 16px/normal Helvetica; "> <a href="http://www.cgl.ucsf.edu">http://www.cgl.ucsf.edu</a></font></div><div><font face="Helvetica" size="5" style="font: normal normal normal 16px/normal Helvetica; "><br></font></div></div></span></div><div><div>On Dec 22, 2010, at 10:16 AM, Elaine Meng wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div>Hi George,<br>If you want Chimera to understand the atom types when you read the Mol2 file back in, when saving the Mol2 do *not* use the option to "Write Amber/GAFF atom types instead of Sybyl atom types". If you use the default settings in the "save Mol2" dialog, it will write a standard Mol2 file with Sybyl atom types, and you can read the file back in without problems. The Amber/GAFF type option is for people who wanted to know the force field type assignments, but is not suitable for reading back into Chimera.<br><br><<a href="http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/savemodel.html#mol2">http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/savemodel.html#mol2</a>><br><br>I hope this clarifies what is going on,<br>Elaine<br>-----<br>Elaine C. Meng, Ph.D. <br>UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab<br>Department of Pharmaceutical Chemistry<br>University of California, San Francisco<br><br>On Dec 22, 2010, at 9:41 AM, George Tzotzos wrote:<br><br><blockquote type="cite">Hi everybody,<br></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite">I'm attaching a pdb file <3og.pdb>. This file on conversion from amber11 (ANTECHAMBER) yields 3og.mol2 which Chimera renders as per snapshot below. The two big blue spheres should be oxygen atoms. Selecting the molecule and trying to colour by atom has no effect other than colouring the atoms that are adjacent to the blue spheres.<br></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite">Any explanation for this behaviour?<br></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite">Many thanks and best regards<br></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite">George<br></blockquote><br><br>_______________________________________________<br>Chimera-users mailing list<br><a href="mailto:Chimera-users@cgl.ucsf.edu">Chimera-users@cgl.ucsf.edu</a><br>http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users<br></div></blockquote></div><br></div><div apple-content-edited="true"><span class="Apple-style-span" style="border-collapse: separate; border-spacing: 0px 0px; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 16px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: auto; -khtml-text-decorations-in-effect: none; text-indent: 0px; -apple-text-size-adjust: auto; text-transform: none; orphans: 2; white-space: normal; widows: 2; word-spacing: 0px; "><div style="word-wrap: break-word; -khtml-nbsp-mode: space; -khtml-line-break: after-white-space; "><span class="Apple-style-span" style="font-size: medium;"><br class="Apple-interchange-newline"></span></div></span> </div><br></body></html>