Re: [PyMOL] movie script

2007-08-13 Thread Jason T Maynes
Use the translate command to move one/both of the pdb molecules until they superimpose. Just interpolate the distance depending on how many frames you want to do and the distance separated. Cheers, JTM We can be sure that if a detailed understanding of the molecular basis of chemo-therapeutic

Re: [PyMOL] Measure side chain shift

2006-10-27 Thread Jason T Maynes
Hello: Not exactly sure what you are asking here but if you want to calculate the distance moved you could use the distance command: distance atomx, atomy to tell you how far atoms in the residues has moved. you can also calculate dihedrals (ie/ X values) using the dihedral command dihedral

Re: [PyMOL] Protein Movie

2006-10-20 Thread Jason T Maynes
Use the translate command to move selected parts of the protein. There are lots of posts in the archives for more info. Cheers, JTM We can be sure that if a detailed understanding of the molecular basis of chemo-therapeutic activity were to be obtained, the advance of medicine would be greatly

Re: [PyMOL] How to choose an atom (of a ligand)

2006-10-12 Thread Jason T Maynes
select [ligand name and/or chain] and n. [atom name] For instance, if your ligand is chain c and you want to select the atom named C21 in the pdb file: select c. c n. c21 or if your ligand has a residue name like BME or something similar then you could do: select r. bme n. c21 Cheers, JTM

Re: [PyMOL] programs to make pymol movies in Linux

2006-09-25 Thread Jason T Maynes
I find mpeg encoder from Berkeley works fantastic and very fast. The only problem is if you want to add frames from another source that may not be exactly the same frame size. For just putting frames together I haven't found anything faster or easier with a great quality output. Cheers, JTM We

Re: [PyMOL] Surface Edge

2006-09-20 Thread Jason T Maynes
I believe that you need to make these new objects to correct the problem, at least this is a quick fix that I have done in the past. There may be a more elegant solution: load my.pdb, obj1 load my.pdb, obj2 [whatever to each obj] When loaded separately you don't have this problem. Cheers, JTM