Re: [PyMOL] selection of a set of amino acids

2014-12-15 Thread Sampson, Jared
Hi Alireza - For renumbering a chain, the program PDBSET in the CCP4 suite is my tool of choice. If your protein is chain A, the command would look something like this: pdbset xyzin my_protein.pdb xyzout my_protein_renumbered.pdb EOF renum 1 chain A EOF To remove the extraneous stuff within

[PyMOL] selection of a set of amino acids

2014-12-13 Thread Alireza Kashani
Dear All, I would like to colour different regions of a protein in different colour; say region one, amino acid number 1 to 100 and region two amino acid 101 to 150; However, when I look into a pdb file using pymol; by displaying the residuals, I see the residue number 1, does not correspond to

Re: [PyMOL] selection of a set of amino acids

2014-12-13 Thread Andreas Warnecke
Hi, There is a script available on the pymol wiki called zero_residues. This will allow you to easily renumber any AA sequence. As far as other heteroatoms are concerned you could consider removing them (remove hetatm), or extract them into a second object. Another alternative is to simply adjust

Re: [PyMOL] selection of a set of amino acids

2014-12-13 Thread Alireza Kashani
Thanks for your prompt answer, numbers resets in every chain - and there is a lot of nucleobases in the beginning (A,C,U,G) and MG at the end and these atoms mess up the residues number additionally ! can I remove them via pymol ? Thank you http://en.wikipedia.org/wiki/Nucleobase On Sat, Dec 13,