#!/usr/local/bin/vmd # vmd script saved by save_state set viewplist {} set fixedlist {} # Atom selection macros atomselect macro at {resname ADE A THY T} atomselect macro acidic {resname ASP GLU} atomselect macro cyclic {resname HIS PHE PRO TRP TYR} atomselect macro acyclic {protein and not cyclic} atomselect macro aliphatic {resname ALA GLY ILE LEU VAL} atomselect macro alpha {protein and name CA} atomselect macro amino protein atomselect macro aromatic {resname HIS PHE TRP TYR} atomselect macro basic {resname ARG HIS LYS} atomselect macro bonded {numbonds > 0} atomselect macro buried {resname ALA LEU VAL ILE PHE CYS MET TRP} atomselect macro cg {resname CYT C GUA G} atomselect macro charged {basic or acidic} atomselect macro hetero {not (protein or nucleic)} atomselect macro hydrophobic {resname ALA LEU VAL ILE PRO PHE MET TRP} atomselect macro small {resname ALA GLY SER} atomselect macro medium {resname VAL THR ASP ASN PRO CYS ASX PCA HYP} atomselect macro large {protein and not (small or medium)} atomselect macro neutral {resname VAL PHE GLN TYR HIS CYS MET TRP ASX GLX PCA HYP} atomselect macro polar {protein and not hydrophobic} atomselect macro purine {resname ADE A GUA G} atomselect macro pyrimidine {resname CYT C THY T URI U} atomselect macro surface {protein and not buried} atomselect macro lipid {resname DLPE DMPC GPC LPPC PALM PC PGCL POPC POPE} atomselect macro ion {name CAL CLA MG POT SOD ZN} atomselect macro sugar {resname AGLC} atomselect macro solvent {not (protein or sugar or nucleic or lipid)} atomselect macro carbon {name "C.*" and not ion} atomselect macro hydrogen {name "[0-9]?H.*"} atomselect macro nitrogen {name "N.*"} atomselect macro oxygen {name "O.*"} atomselect macro sulfur {name "S.*" and not ion} atomselect macro noh {not hydrogen} mol new 1A4U.pdb type pdb mol delrep 0 top mol representation Lines mol color Name mol selection {all} mol material Opaque mol addrep top mol representation Surf 1.500000 0.000000 mol color Chain mol selection {chain A} mol material Opaque mol addrep top mol representation VDW 1.200000 8.000000 mol color ColorID 1 mol selection {resid 151 and not water} mol material Opaque mol addrep top mol rename top {1A4U.pdb} set viewpoints([molinfo top]) {{{1.000000 0.000000 0.000000 -11.833228} {0.000000 1.000000 0.000000 0.314946} {0.000000 0.000000 1.000000 -15.099096} {0.000000 0.000000 0.000000 1.000000}} {{0.742899 0.047646 -0.667821 0.000000} {0.609183 -0.461656 0.644862 0.000000} {-0.277568 -0.885875 -0.371985 0.000000} {0.000000 0.000000 0.000000 1.000000}} {{0.031526 0.000000 0.000000 0.000000} {0.000000 0.031526 0.000000 0.000000} {0.000000 0.000000 0.031526 0.000000} {0.000000 0.000000 0.000000 1.000000}} {{1.000000 0.000000 0.000000 0.000000} {0.000000 1.000000 0.000000 0.000000} {0.000000 0.000000 1.000000 0.000000} {0.000000 0.000000 0.000000 1.000000}}} lappend viewplist [molinfo top] set topmol [molinfo top] # done with molecule 0 foreach v $viewplist { molinfo $v set {center_matrix rotate_matrix scale_matrix global_matrix} $viewpoints($v) } foreach v $fixedlist { molinfo $v set fixed 1 } unset viewplist unset fixedlist mol top $topmol unset topmol proc vmdrestoremycolors {} { color Resname {HOH} gray color Chain {A} blue color Chain {B} red color Chain {X} gray color Segname {} blue color Molecule {0} blue color Molecule {1A4U.pdb} blue color Surface {Grasp} gray color Labels {Springs} orange color change rgb 0 0.0 0.0 1.0 color change rgb 2 0.34999999404 0.34999999404 0.34999999404 color change rgb 3 1.0 0.5 0.0 color change rgb 4 1.0 1.0 0.0 color change rgb 5 0.5 0.5 0.20000000298 color change rgb 6 0.600000023842 0.600000023842 0.600000023842 color change rgb 7 0.0 1.0 0.0 color change rgb 9 1.0 0.600000023842 0.600000023842 color change rgb 11 0.649999976158 0.0 0.649999976158 color change rgb 12 0.5 0.899999976158 0.40000000596 color change rgb 13 0.899999976158 0.40000000596 0.699999988079 color change rgb 14 0.5 0.300000011921 0.0 color change rgb 15 0.5 0.5 0.75 } vmdrestoremycolors label add Atoms 0/1536 label add Atoms 0/1536 label add Atoms 0/1538 label add Atoms 0/1590 label add Atoms 0/1590 label add Atoms 0/3951 label add Atoms 0/3951 label add Atoms 0/1600 label add Atoms 0/1569 label add Atoms 0/1540 label add Atoms 0/1540 label add Atoms 0/1607 label add Atoms 0/3051 label add Atoms 0/3526 label add Atoms 0/3526 label add Atoms 0/3554 label add Atoms 0/3514 label add Atoms 0/3129 label add Atoms 0/3521 menu main on rock y by 1 display stereo SideBySide