<HTML><BODY style="word-wrap: break-word; -khtml-nbsp-mode: space; -khtml-line-break: after-white-space; "><DIV><DIV>On Nov 5, 2007, at 12:24 PM, Hernando Sosa wrote:</DIV><BR class="Apple-interchange-newline"><BLOCKQUOTE type="cite"><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">Hi,</DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">I have a couple of questions:</DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; min-height: 14px; "><BR></DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">Is there a simple<SPAN class="Apple-converted-space"> </SPAN>way to determine the angle between<SPAN class="Apple-converted-space"> </SPAN>any of the three<SPAN class="Apple-converted-space"> </SPAN></DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">axes, X,Y or Z and the line connecting two selected atoms?. I know you<SPAN class="Apple-converted-space"> </SPAN></DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">can use the Angles/Torsions tools to determine the angle formed between<SPAN class="Apple-converted-space"> </SPAN></DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">3 sets of atoms, but I wonder if<SPAN class="Apple-converted-space"> </SPAN>you could use that tool, or some<SPAN class="Apple-converted-space"> </SPAN></DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">other,<SPAN class="Apple-converted-space"> </SPAN>to<SPAN class="Apple-converted-space"> </SPAN>report the angle of two atoms with the axes?.</DIV></BLOCKQUOTE><DIV><BR class="khtml-block-placeholder"></DIV>Hi Hernando,</DIV><DIV><SPAN class="Apple-tab-span" style="white-space:pre"> </SPAN>Perhaps you could explain in more detail what you want to determine here. AFAIK, there is no unique angle between non-intersecting lines in 3-space.</DIV><DIV><BR><BLOCKQUOTE type="cite"><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">Is it possible to draw a box with the axes around a structure as it can<SPAN class="Apple-converted-space"> </SPAN></DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">be done with a volume ?.</DIV></BLOCKQUOTE><BR></DIV><DIV>There is no command or GUI for it, but in Python pretty much anything is possible. I've appended a Python script that will draw axis-aligned bounding boxes of currently selected molecules (or all molecule models if none are selected). Just open it with File...Open or the "open" command.</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>--Eric</DIV><BR><DIV> <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; "><P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="5" style="font: 16.0px Helvetica"><SPAN class="Apple-converted-space"> <SPAN class="Apple-converted-space"> </SPAN></SPAN>Eric Pettersen</FONT></P><P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="5" style="font: 16.0px Helvetica"><SPAN class="Apple-converted-space"> <SPAN class="Apple-converted-space"> </SPAN></SPAN>UCSF Computer Graphics Lab</FONT></P><P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="5" style="font: 16.0px Helvetica"><SPAN class="Apple-converted-space"> </SPAN><A href="http://www.cgl.ucsf.edu">http://www.cgl.ucsf.edu</A></FONT></P><BR class="Apple-interchange-newline"></SPAN> </DIV><BR></BODY></HTML>