[Jmol-users] lcaoCartoons

I have encountered a problem with displaying p orbital cartoons with matching colors on all atoms of SO2 molecule. select all lcaoCartoon create "pz" creates one p orbital with opposite color lobes to the other two. I can individually add p lobes to all three atoms (and adjust the "phas

[Jmol-users] plot natural transition orbitals from Gaussian log-file

Gaussian can produce natural transition orbitals in the log-file by running # B3LYP 6-31g sp gfprint pop(full,nto) TD(singlets,nstates=3) Density(transition=) See the sample output http://zhugayevych.me/_sourceforge/NTO.log. In that output the natural transition orbitals are listed under the k

[Jmol-users] does not read Gaussian molecular orbitals

Jmol does not read molecular orbitals from a Gaussian log-file if a symmetry is present: see two examples http://zhugayevych.me/_sourceforge/doesnt_read_MO.log and http://zhugayevych.me/_sourceforge/does_read_MO.log. You probably always can add "NoSymm" keyword but usually you want to see the sy

Re: [Jmol-users] select all N or O atoms with their Hydrogens

select _N, _O, _H and connected(_N,_O) -- Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions wi

Re: [Jmol-users] Notify user if signed applet request is declined

problem is, using your code sample from the last mail, even when using an applet where I grant access to the machine, i get this message: "2,scriptStatus,0,script 2 started 3,scriptStatus,0,script ERROR: java.security.AccessControlException: access denied (java.net.SocketPermission 130.225.101

Re: [Jmol-users] Resolver Test Request

Just to close this issue: I waited a few days to make sure the problem was fixed. It seems it was a proxy server issue. I changed the FIrefox default of from "auto detect" proxy to "no proxy," and this seems to have solved the problem. Thanks again... Otis -- Otis Rothenberger o...@chemagic.c