Hi, I found nothing about my problem in the documentation, so i dare asking here. Is there a way to add Hydrogens to a PDB-Structure in Jmol like there is in Pymol with H_add() ? And is there a way to extract the molecule into my Java environment, so i can work with it in my applet? I want to compute and show some Surface descriptors which need those Hydrogens.
The best thing would be if i could open a Structure directly from the PDB, add those hydrogens, perform some calculation and show it in the Jmol window with cool Grafix and all the stuff Jmol can do like showing only the cartoon view so i can show how the binding pocket contains some dummy atoms/spheres that i place there. Would be nice if someone answered me and helped me out with this one. thanks in advance Frederik Hefke _____________________________________________________________________ Der WEB.DE SmartSurfer hilft bis zu 70% Ihrer Onlinekosten zu sparen! http://smartsurfer.web.de/?mc=100071&distributionid=000000000066 ------------------------------------------------------------------------- Using Tomcat but need to do more? Need to support web services, security? Get stuff done quickly with pre-integrated technology to make your job easier. Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642 _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
