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