Re: [PyMOL] Fit command for 24 vs 18 amino acids

2010-04-22 Thread Jason Vertrees
Renuka, In this case the 'fit' command is detecting the residues that are common between your two sequences and fitting those. The operator in question here is in. You can select atoms from one chain that are in another. For example, # load your two proteins p and q, then select the #

[PyMOL] Load without bonding

2010-04-22 Thread David Hall
Is it possible to load a pdb file and have pymol skip making bonds? There's a bunch of undocumented options to load, but I don't think any of them do what I want. I have a file where there's a bunch of jumbled atoms and there's no relation between them, just thousands in the same place and pymol

Re: [PyMOL] Load without bonding

2010-04-22 Thread David Hall
actually, you can ignore this email, it seems pymol was having issues because there were a bunch of CONECT records, if I delete those, pymol actually loads it really fast. Kind of odd behavior, but interesting. -David On Thu, Apr 22, 2010 at 2:14 PM, David Hall li...@cowsandmilk.net wrote: Is

Re: [PyMOL] Load without bonding

2010-04-22 Thread Jason Vertrees
Hi David, Check out the connect_mode setting: set connect_mode, 1 # no bonds fetch 1cll Cheers, -- Jason On Thu, Apr 22, 2010 at 2:14 PM, David Hall li...@cowsandmilk.net wrote: Is it possible to load a pdb file and have pymol skip making bonds? There's a bunch of undocumented options to

Re: [PyMOL] Load without bonding

2010-04-22 Thread David Hall
I started a pymolwiki page for this at http://www.pymolwiki.org/index.php/Connect_mode so I had something to benchmark. If someone knows what connect_mode=3 does, please fill it in. The code in layer2/ObjectMolecule2.c is probably where to start if you want to take a stab at figuring it out.

Re: [PyMOL] PyMOL Plugin Architecture

2010-04-22 Thread Robert Campbell
Hi Maia, Just to add to what Jason said: On Thu, 22 Apr 2010 17:16:41 -0400, Jason Vertrees jason.vertr...@schrodinger.com wrote: 2. Which plugin allows me to move one structure relative to another. (I want to do manual docking of one structure into another). You don't need a plugin to

Re: [PyMOL] PyMOL Plugin Architecture

2010-04-22 Thread Maia Cherney
Thank, Robert, Jason. Finally I figured this out with your help. Maia Robert Campbell wrote: Hi Maia, Just to add to what Jason said: On Thu, 22 Apr 2010 17:16:41 -0400, Jason Vertrees jason.vertr...@schrodinger.com wrote: 2. Which plugin allows me to move one structure relative to

[PyMOL] Please remove my emal address from your bulletin board

2010-04-22 Thread Charles David Stout
Dear PyMol developers, PyMol is an awesome program, but I'm a casual user. Please remove my email address from your bulletin board. Thanks Dave Stout 4-22-10 d...@scripps.edu --