From: Michael T H. <mic...@us...> - 2003-10-16 19:10:23
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Update of /cvsroot/jmol/Jmol-web/source/doc/demo/dots In directory sc8-pr-cvs1:/tmp/cvs-serv12784/source/doc/demo/dots Added Files: ddt.xyz.gz index.html Log Message: restructuring --- NEW FILE: ddt.xyz.gz --- &? r^03 |¼ÇQ(. @ÂUpH¯ BÕJ9V!@.,[Uk6äã %GÁÏé¼ Õ&ÕƦà FÉ£YwÚßNPh£`~FüÎí'jnûnÓË$=cË"1Ê ÓÑñÝ(Z ¤J-µ&;]Yêts0G¢¶u÷äk£ÞÜ&sG= ΫÀ§w ºË: D6 æè -[ôímLºÀ]Ûs´k YèÕ¡Ô+7kßA9åxèÍÐ-«c]{æ %éõ@ø£ --- NEW FILE: index.html --- <html> <head><title>jmol applet atoms demo</title> </head> <body> <table border="1"> <tr> <td> <h2>ddt</h2> <applet name="jmol" code="JmolApplet" archive="JmolApplet.jar" codebase="../jmol" width="300" height="300" mayscript="true" > <param name="emulate" value="chime" /> <param name="load" value="ddt.xyz.gz" /> </applet> </td> <td> Jmol has the ability to show two types of 'dots' surfaces. The first is a vanderWalls dots surface, where the dots are shown at the vanderWaals radius for all atoms.<br /> <applet code="JmolAppletControl" archive="JmolApplet.jar" codebase="../jmol" height="20" width="200" mayscript="true" > <param name="type" value="button" /> <param name="label" value="dots on" /> <param name="target" value="jmol" /> <param name="script" value="dots on" /> </applet> <applet code="JmolAppletControl" archive="JmolApplet.jar" codebase="../jmol" height="20" width="200" mayscript="true" > <param name="type" value="button" /> <param name="label" value="dots off" /> <param name="target" value="jmol" /> <param name="script" value="dots off" /> </applet><br /> <applet code="JmolAppletControl" archive="JmolApplet.jar" codebase="../jmol" height="20" width="200" mayscript="true" > <param name="type" value="button" /> <param name="label" value="cpk 25%" /> <param name="target" value="jmol" /> <param name="script" value="cpk 25%" /> </applet> <applet code="JmolAppletControl" archive="JmolApplet.jar" codebase="../jmol" height="20" width="200" mayscript="true" > <param name="type" value="button" /> <param name="label" value="cpk 50%" /> <param name="target" value="jmol" /> <param name="script" value="cpk 50%" /> </applet><br /> <applet code="JmolAppletControl" archive="JmolApplet.jar" codebase="../jmol" height="20" width="200" mayscript="true" > <param name="type" value="button" /> <param name="label" value="cpk 95%" /> <param name="target" value="jmol" /> <param name="script" value="cpk 95%" /> </applet> <applet code="JmolAppletControl" archive="JmolApplet.jar" codebase="../jmol" height="20" width="200" mayscript="true" > <param name="type" value="button" /> <param name="label" value="cpk off" /> <param name="target" value="jmol" /> <param name="script" value="cpk off" /> </applet><br /> <applet code="JmolAppletControl" archive="JmolApplet.jar" codebase="../jmol" height="20" width="200" mayscript="true" > <param name="type" value="button" /> <param name="label" value="wireframe on" /> <param name="target" value="jmol" /> <param name="script" value="wireframe on" /> </applet> <applet code="JmolAppletControl" archive="JmolApplet.jar" codebase="../jmol" height="20" width="200" mayscript="true" > <param name="type" value="button" /> <param name="label" value="wireframe 0.1" /> <param name="target" value="jmol" /> <param name="script" value="wireframe 0.1" /> </applet><br /> <applet code="JmolAppletControl" archive="JmolApplet.jar" codebase="../jmol" height="20" width="200" mayscript="true" > <param name="type" value="button" /> <param name="label" value="wireframe 0.3" /> <param name="target" value="jmol" /> <param name="script" value="wireframe 0.3" /> </applet> <applet code="JmolAppletControl" archive="JmolApplet.jar" codebase="../jmol" height="20" width="200" mayscript="true" > <param name="type" value="button" /> <param name="label" value="wireframe off" /> <param name="target" value="jmol" /> <param name="script" value="wireframe off" /> </applet><br /> The second type of dots surface you can display is a Connolly or Solvent Accessible Surface. The model is that this is the surface which is accessible by a probe sphere. This command interacts with the 'dots' command.<br /> <applet code="JmolAppletControl" archive="JmolApplet.jar" codebase="../jmol" height="20" width="200" mayscript="true" > <param name="type" value="button" /> <param name="label" value="dots off; set solvent on; dots on" /> <param name="target" value="jmol" /> <param name="script" value="dots off; set solvent on; dots on" /> </applet> <applet code="JmolAppletControl" archive="JmolApplet.jar" codebase="../jmol" height="20" width="200" mayscript="true" > <param name="type" value="button" /> <param name="label" value="dots off; set solvent off; dots on" /> <param name="target" value="jmol" /> <param name="script" value="dots off; set solvent off; dots on" /> </applet><br /> The default probe size is 1.2 Å, a probe size used for water. So these first two buttons do the same thing. But you need to use these in combination with the 'dots' buttons above. <br /> <applet code="JmolAppletControl" archive="JmolApplet.jar" codebase="../jmol" height="20" width="200" mayscript="true" > <param name="type" value="button" /> <param name="label" value="set solvent on" /> <param name="target" value="jmol" /> <param name="script" value="set solvent on" /> </applet> <applet code="JmolAppletControl" archive="JmolApplet.jar" codebase="../jmol" height="20" width="200" mayscript="true" > <param name="type" value="button" /> <param name="label" value="set solvent 1.2" /> <param name="target" value="jmol" /> <param name="script" value="set solvent 1.2" /> </applet><br /> <applet code="JmolAppletControl" archive="JmolApplet.jar" codebase="../jmol" height="20" width="200" mayscript="true" > <param name="type" value="button" /> <param name="label" value="set solvent 2.0" /> <param name="target" value="jmol" /> <param name="script" value="set solvent 2.0" /> </applet> <applet code="JmolAppletControl" archive="JmolApplet.jar" codebase="../jmol" height="20" width="200" mayscript="true" > <param name="type" value="button" /> <param name="label" value="set solvent off" /> <param name="target" value="jmol" /> <param name="script" value="set solvent off" /> </applet><br /> By default, convex dots on the outside of the atom spheres inherit the color of the atom. Saddle dots are shown in blue. There are explicit color commands for controlling dot color. <br /> <applet code="JmolAppletControl" archive="JmolApplet.jar" codebase="../jmol" height="20" width="200" mayscript="true" > <param name="type" value="button" /> <param name="label" value="color dots yellow" /> <param name="target" value="jmol" /> <param name="script" value="color dots yellow" /> </applet> <applet code="JmolAppletControl" archive="JmolApplet.jar" codebase="../jmol" height="20" width="200" mayscript="true" > <param name="type" value="button" /> <param name="label" value="color dotsConvex cyan" /> <param name="target" value="jmol" /> <param name="script" value="color dotsConvex cyan" /> </applet><br /> <applet code="JmolAppletControl" archive="JmolApplet.jar" codebase="../jmol" height="20" width="200" mayscript="true" > <param name="type" value="button" /> <param name="label" value="color dotsSaddle hotpink" /> <param name="target" value="jmol" /> <param name="script" value="color dotsSaddle hotpink" /> </applet> <applet code="JmolAppletControl" archive="JmolApplet.jar" codebase="../jmol" height="20" width="200" mayscript="true" > <param name="type" value="button" /> <param name="label" value="color dots none" /> <param name="target" value="jmol" /> <param name="script" value="color dots none" /> </applet><br /> (Concave surfaces formed where three atoms come together are a problem for me. If you are interested in this topic, please get in touch. <b>mt...@mt...</b>) <br /> This button makes them pretty easy to see. They are the little spherical triangles that do not have any dots. <br /> <applet code="JmolAppletControl" archive="JmolApplet.jar" codebase="../jmol" height="20" width="400" mayscript="true" > <param name="type" value="button" /> <param name="label" value="cpk 95%; color dots yellow; set solvent on; dots on" /> <param name="target" value="jmol" /> <param name="script" value="cpk 95%; color dots yellow; set solvent on; dots on" /> </applet><br /> </td> </tr> </table> </body> </html> |