Re: [PyMOL] Showing electric field lines

2010-02-16 Thread Alan
Hi Andreas, Thanks for your reply. See my comments please. Essentially, I need to install new apbs plubgin. 2010/2/15 Andreas Förster > my advice is to see if a dx file by another name has been created and, if > so, use that to visualize the field lines. > > They are there: pymol-generated.dx

Re: [PyMOL] Showing electric field lines

2010-02-16 Thread Alan
Dear Michael, With help of Andreas I got apbs plugin 2 working on my pymol and I must say that's beautiful and I believe it's a 'must have' functionality to add to your plugin, the ability to show field lines easily. Another suggestion I have is considering the use of apbs with mpi. Putting simp

Re: [PyMOL] Use of PyMOL for inspection and saving of docking results from Autodock

2010-02-16 Thread Marko S
I already have the new plugin, and unfortunately only the part to view poses and export the results works for me, but it has a great potential if the bugs are fixed so great work DanieI. I make something useful when i converted the poses.pdb to poses.mol2 so thank you. If i may ask you one more of

[PyMOL] Autodock plugin

2010-02-16 Thread Kin Sing Stephen Lee
Dear all, This is the first time for me to use the autodock plugin and I have some simple questions. I'm using Macbook Pro (OS X v 10.5 - leopard). Autodock and autodock tools run fine in the X11 terminal. In the autodock plugin, I need to put in the autodock tool program path,so I put

Re: [PyMOL] Autodock plugin

2010-02-16 Thread Daniel Seeliger
Hi Sing, take a look into ~/.ADplugin/pymol_autodock_plugin.conf and set the path to the autodocktools scripts correctly. Then the plugin should find them. Cheers, Daniel On Tuesday 16 February 2010 08:06:40 pm Kin Sing Stephen Lee wrote: > Dear all, > > This is the first time for me to use t