Re: [PyMOL] creating objects

2007-11-13 Thread DeLano Scientific
> > Yes, if you use the distance command ("dist" for short). > > > load $TUT/1hpv.pdb > > > dist dist01, A/14/CA, A/20/CA > > > dist dist02, A/29/CA, A/46/CA > > > etc. > > Yes, but in this way two object are created, dist01 and > dist02. The question is how to join both object (or more if

[PyMOL] creating objects

2007-11-06 Thread Antonio Morreale
Hello pymol-users, I would like to know if there is any way to create an unique object containing different distances. I have some distances and I want to group them in only one object. Using the command "create" always give me an error on the selection. I have no problem doing the same wi

[PyMOL] creating objects using pymol API

2005-10-04 Thread Christian Brix Folsted Andersen
I am working on a python function that devides a structure into objects containing residues with certian properties. When I do a cmd.create on a large string (resid 1 or resid 3 or ...) pymol crashes with a segementation fault. Is there any way to add resides to an object? Instead I got the br

RE: [PyMOL] creating objects from pdb w/out chain id

2004-04-17 Thread Warren DeLano
Cameron > This reminds me of a related question I once had -- does > anyone know if there's a way to create selections based > loosely (and very generally) on bond connectivity criteria, > in a somewhat similar manner as specified in force fields > used for proteins. It would be neat to be a

Re: [PyMOL] creating objects from pdb w/out chain id

2004-04-17 Thread Cameron Mura
Hi , Rather than using atom selection macros (/1jff//a/etc.../), the easiest way is probably to execute the following command, which takes advantage of PyMOL's built-in "hetatm" single-word selector: select just_protein, ! hetatm The "hetatm" selector consists of all atoms from the PDB fi

Re: [PyMOL] creating objects from pdb w/out chain id

2004-04-17 Thread Jacob Corn
Hi Hanspeter, If you want to use a stock pdb that does not contain chain IDs, you should create the object using either a residue or atom selection. For example (using residue ids for kinesin) create kin=(/1BG2///3:325/) However, for your convenience I've attached a modified pdb that contains dif

[PyMOL] creating objects from pdb w/out chain id

2004-04-17 Thread Hanspeter Niederstrasser
I'm trying to create an object of a protein from a PDB file that doesn't give a chain ID (pdb is 1BG2). I normally do something like: create atub=(/1jff//a/) to pull a specific chain out of a PDB file, but 1BG2 doesn't have a chain name. And if i use "create kin=(/1BG2)", the object kin get