1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72
|
PyMOL>pseudoatom test
ObjMol: created test/PSDO/P/PSD`1/PS1
PyMOL>move x,10
PyMOL>pseudoatom test
ObjMol: created test/PSDO/P/PSD`1/PS2
PyMOL>count_atoms
count_atoms: 2 atoms
PyMOL>ray renderer=2
RayRenderTest: obtained 6 graphics primitives.
PyMOL>iterate all,print name+ " %0.2f"%vdw
PS1 1.00
PS2 1.00
Iterate: iterated over 2 atoms.
PyMOL>dele all
PyMOL>load dat/pept.pdb
CmdLoad: "dat/pept.pdb" loaded as "pept".
PyMOL>pseudoatom test, pept and resi 1
ObjMol: created test/PSDO/P/PSD`1/PS1
PyMOL>pseudoatom test, pept and resi 2
ObjMol: created test/PSDO/P/PSD`1/PS2
PyMOL>pseudoatom test, pept and resi 10
ObjMol: created test/PSDO/P/PSD`1/PS3
PyMOL>iterate name PS*, print name+ " %0.2f"%vdw
PS1 1.81
PS2 1.79
PS3 1.81
Iterate: iterated over 3 atoms.
PyMOL>hide
PyMOL>as spheres, test
PyMOL>ray renderer=2
RayRenderTest: obtained 3 graphics primitives.
PyMOL>bond name PS2, name PS3
Bond: 1 bonds added to model "test".
PyMOL>show sticks, test
PyMOL>ray renderer=2
RayRenderTest: obtained 4 graphics primitives.
PyMOL>pseudoatom test, vdw=5.0
ObjMol: created test/PSDO/P/PSD`1/PS4
PyMOL>ray renderer=2
RayRenderTest: obtained 7 graphics primitives.
PyMOL>pseudoatom test, color=blue
ObjMol: created test/PSDO/P/PSD`1/PS5
PyMOL>ray renderer=2
RayRenderTest: obtained 10 graphics primitives.
PyMOL>pseudoatom test, label=Hello world
ObjMol: created test/PSDO/P/PSD`1/PS6
PyMOL>ray renderer=2
RayRenderTest: obtained 32 graphics primitives.
PyMOL>dele all
PyMOL>load dat/pept.pdb
CmdLoad: "dat/pept.pdb" loaded as "pept".
PyMOL>pseudoatom pept, pept and resi 1
ObjMol: created pept/PSDO/P/PSD`1/PS1
PyMOL>pseudoatom pept, pept and resi 2
ObjMol: created pept/PSDO/P/PSD`1/PS2
PyMOL>pseudoatom pept, pept and resi 10
ObjMol: created pept/PSDO/P/PSD`1/PS3
PyMOL>count_atoms pept
count_atoms: 110 atoms
PyMOL>bond name PS2, name PS3
Bond: 1 bonds added to model "pept".
PyMOL>hide nonbonded
PyMOL>ray renderer=2
RayRenderTest: obtained 167 graphics primitives.
PyMOL>dele all
PyMOL>load dat/pept.pdb
CmdLoad: "dat/pept.pdb" loaded as "pept".
PyMOL>pseudoatom test, all, b=1.5, q=1.6, resn=abc, resi=10, name=ilk, elem=s, vdw=5, segi=asdf, chain=''
ObjMol: created test/asdf//abc`10/ilk
PyMOL>iterate name ilk,print "%8.3f %8.3f %8.3f"%(b,q,vdw)
1.500 1.600 5.000
Iterate: iterated over 1 atoms.
|