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%% % Prolog program of pyrimidine example file (Relational/Pyrimidine). % % Example taken from relational.fit.cvut.cz %% :-use_module(library(slipcover)). :-if(current_predicate(use_rendering/1)). :-use_rendering(c3). :-use_rendering(lpad). :-endif. :-sc. :-set_sc(megaex_bottom,20). :-set_sc(max_iter,3). :-set_sc(max_iter_structure,10). :-set_sc(maxdepth_var,4). :-set_sc(verbosity,3). :-begin_bg. molecule_id(ID):-molecule(ID, Ac). :-end_bg. activity(Ac):-molecule(_, Ac). output(molecule_id/0). modeh(*, molecule_id). modeb(*, molecule(-#activity)). determination(molecule_id/0,molecule/1). determination(activity/0,molecule/1). %%%%%%%%%%%%%%%%%%% % Molecule information %% % predicate: molecule(molecule_id, activity). molecule(1,0.634). molecule(2,0.531). molecule(3,0.572). molecule(4,0.613). molecule(5,0.547). molecule(6,0.619). molecule(7,0.628). molecule(8,0.628). molecule(9,0.561). molecule(10,0.628). molecule(11,0.516). molecule(12,0.451). molecule(13,0.568). molecule(14,0.619). molecule(15,0.568). molecule(16,0.584). molecule(17,0.589). molecule(18,0.554). molecule(19,0.534). molecule(20,0.602). molecule(21,0.649). molecule(22,0.745). molecule(23,0.72). molecule(24,0.756). molecule(25,0.587). molecule(26,0.582). molecule(27,0.675). molecule(28,0.893). molecule(29,0.893). molecule(30,0.634). molecule(31,0.833). molecule(32,0.859). molecule(33,0.741). molecule(34,0.742). molecule(35,0.9). molecule(36,0.749). molecule(37,0.829). molecule(38,0.716). molecule(39,0.838). molecule(40,0.763). molecule(41,0.671). molecule(42,0.763). molecule(43,0.805). molecule(44,0.717). molecule(45,0.772). molecule(46,0.545). molecule(47,0.549). molecule(48,0.584). molecule(49,0.661). molecule(50,0.619). molecule(51,0.579). molecule(52,0.674). molecule(53,0.642). molecule(54,0.734). molecule(55,0.7). molecule(56,0.624). molecule(57,0.56). molecule(58,0.54). molecule(59,0.665). molecule(60,0.646). molecule(61,0.738). molecule(62,0.595). molecule(63,0.9). molecule(64,0.9). molecule(65,0.638). molecule(66,0.897). molecule(67,0.571). molecule(68,0.1). molecule(69,0.621). molecule(70,0.569). molecule(71,0.632). molecule(72,0.753). molecule(73,0.538). molecule(74,0.639). %%%%%%%%%%%%%%%%%%% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % Molecule position information %% % predicate: position(molecule_id,position,flex,h_acceptor,h_doner,pi_acceptor,pi_doner,polar,polarisable,sigma,size). position(1,1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1). position(2,1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1). position(3,1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1). position(4,1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1). position(5,1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1). position(6,1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1). position(7,1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1). position(8,1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1). position(9,1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1). position(10,1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1). position(11,1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1). position(12,1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1). position(13,1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1). position(14,1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1). position(15,1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1). position(16,1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1). position(17,1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1). position(18,1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1). position(19,1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1). position(20,1,0.1,0.1,0.1,0.1,0.1,0.1,0.367,0.1,0.26). position(21,1,0.1,0.1,0.1,0.1,0.1,0.1,0.367,0.1,0.26). position(22,1,0.1,0.1,0.1,0.1,0.1,0.1,0.367,0.1,0.26). position(23,1,0.1,0.1,0.1,0.1,0.1,0.1,0.367,0.1,0.26). position(24,1,0.3,0.1,0.1,0.1,0.1,0.1,0.367,0.1,0.42). position(25,1,0.4,0.5,0.1,0.1,0.1,0.1,0.367,0.1,0.42). position(26,1,0.7,0.5,0.1,0.1,0.1,0.1,0.367,0.1,0.74). position(27,1,0.1,0.1,0.1,0.1,0.1,0.3,0.9,0.26,0.26). position(28,1,0.1,0.1,0.1,0.1,0.1,0.3,0.9,0.26,0.26). position(29,1,0.1,0.1,0.1,0.1,0.1,0.3,0.9,0.26,0.26). position(30,1,0.1,0.5,0.1,0.1,0.1,0.3,0.367,0.26,0.42). position(31,1,0.1,0.5,0.1,0.1,0.1,0.3,0.367,0.26,0.42). position(32,1,0.1,0.5,0.1,0.1,0.1,0.3,0.367,0.26,0.42). position(33,1,0.1,0.5,0.1,0.1,0.1,0.3,0.367,0.26,0.42). position(34,1,0.1,0.5,0.1,0.1,0.1,0.3,0.367,0.26,0.42). position(35,1,0.1,0.5,0.1,0.1,0.1,0.3,0.367,0.26,0.42). position(36,1,0.1,0.5,0.1,0.1,0.1,0.3,0.367,0.26,0.42). position(37,1,0.1,0.5,0.1,0.1,0.1,0.3,0.367,0.26,0.42). position(38,1,0.1,0.5,0.1,0.1,0.1,0.3,0.367,0.26,0.42). position(39,1,0.1,0.5,0.1,0.1,0.1,0.3,0.367,0.26,0.42). position(40,1,0.1,0.5,0.1,0.1,0.1,0.3,0.367,0.26,0.42). position(41,1,0.1,0.5,0.1,0.1,0.1,0.3,0.367,0.26,0.42). position(42,1,0.1,0.5,0.1,0.1,0.1,0.3,0.367,0.26,0.42). position(43,1,0.1,0.5,0.1,0.1,0.1,0.3,0.367,0.26,0.42). position(44,1,0.1,0.5,0.1,0.1,0.1,0.3,0.367,0.26,0.42). position(45,1,0.1,0.5,0.1,0.1,0.1,0.3,0.367,0.26,0.42). position(46,1,0.3,0.9,0.9,0.1,0.9,0.3,0.367,0.1,0.42). position(47,1,0.3,0.9,0.9,0.1,0.9,0.3,0.367,0.1,0.42). position(48,1,0.2,0.9,0.5,0.1,0.5,0.3,0.1,0.26,0.58). position(49,1,0.4,0.9,0.1,0.1,0.1,0.3,0.367,0.26,0.58). position(50,1,0.5,0.5,0.1,0.1,0.1,0.3,0.367,0.26,0.58). position(51,1,0.5,0.9,0.1,0.1,0.1,0.3,0.367,0.26,0.58). position(52,1,0.5,0.9,0.1,0.1,0.1,0.3,0.367,0.26,0.58). position(53,1,0.3,0.5,0.1,0.1,0.1,0.3,0.367,0.26,0.74). position(54,1,0.3,0.5,0.1,0.1,0.1,0.3,0.367,0.26,0.74). position(55,1,0.4,0.5,0.1,0.1,0.1,0.3,0.367,0.26,0.74). position(56,1,0.7,0.5,0.1,0.1,0.1,0.3,0.367,0.26,0.9). position(57,1,0.8,0.5,0.1,0.1,0.1,0.3,0.367,0.26,0.9). position(58,1,0.9,0.5,0.1,0.1,0.1,0.3,0.367,0.26,0.9). position(59,1,0.9,0.5,0.1,0.1,0.1,0.3,0.367,0.26,0.9). position(60,1,0.1,0.1,0.1,0.5,0.1,0.5,0.1,0.58,0.26). position(61,1,0.1,0.1,0.1,0.5,0.1,0.5,0.1,0.58,0.26). position(62,1,0.1,0.1,0.1,0.1,0.1,0.5,0.367,0.58,0.26). position(63,1,0.1,0.1,0.1,0.1,0.1,0.5,0.367,0.58,0.26). position(64,1,0.1,0.1,0.1,0.1,0.1,0.5,0.367,0.58,0.26). position(65,1,0.1,0.1,0.1,0.1,0.1,0.5,0.633,0.42,0.26). position(66,1,0.1,0.1,0.1,0.1,0.1,0.5,0.633,0.42,0.26). position(67,1,0.1,0.9,0.9,0.1,0.9,0.5,0.367,0.42,0.26). position(68,1,0.1,0.9,0.9,0.1,0.9,0.5,0.367,0.42,0.26). position(69,1,0.1,0.9,0.9,0.1,0.9,0.5,0.367,0.42,0.26). position(70,1,0.1,0.9,0.9,0.1,0.9,0.5,0.367,0.42,0.26). position(71,1,0.2,0.1,0.1,0.5,0.1,0.7,0.633,0.42,0.58). position(72,1,0.2,0.1,0.1,0.5,0.1,0.7,0.633,0.42,0.58). position(73,1,0.1,0.5,0.1,0.1,0.1,0.9,0.1,0.9,0.26). position(74,1,0.1,0.1,0.1,0.9,0.1,0.9,0.1,0.58,0.42). position(1,2,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1). position(2,2,0.1,0.1,0.1,0.1,0.1,0.26,0.1,0.1,0.1). position(3,2,0.1,0.1,0.1,0.1,0.1,0.26,0.5,0.1,0.26). position(4,2,0.1,0.5,0.1,0.1,0.1,0.26,0.5,0.26,0.42). position(5,2,0.1,0.1,0.9,0.1,0.9,0.42,0.1,0.26,0.26). position(6,2,0.1,0.5,0.1,0.1,0.1,0.42,0.5,0.26,0.42). position(7,2,0.1,0.5,0.5,0.1,0.5,0.42,0.5,0.26,0.42). position(8,2,0.5,0.5,0.1,0.1,0.1,0.42,0.5,0.26,0.58). position(9,2,0.5,0.9,0.1,0.1,0.1,0.42,0.5,0.26,0.58). position(10,2,0.3,0.5,0.1,0.1,0.1,0.42,0.5,0.26,0.74). position(11,2,0.7,0.5,0.1,0.1,0.1,0.42,0.5,0.26,0.9). position(12,2,0.8,0.5,0.1,0.1,0.1,0.42,0.5,0.26,0.9). position(13,2,0.1,0.1,0.1,0.1,0.1,0.58,0.5,0.58,0.26). position(14,2,0.1,0.1,0.1,0.1,0.1,0.58,0.9,0.42,0.26). position(15,2,0.1,0.9,0.9,0.1,0.9,0.58,0.5,0.42,0.26). position(16,2,0.1,0.1,0.1,0.9,0.1,0.74,0.1,0.58,0.42). position(17,2,0.2,0.1,0.1,0.5,0.1,0.74,0.9,0.42,0.58). position(18,2,0.1,0.5,0.1,0.1,0.1,0.9,0.1,0.9,0.26). position(19,2,0.1,0.1,0.1,0.9,0.1,0.9,0.1,0.58,0.42). position(20,2,0.1,0.1,0.1,0.1,0.1,0.26,0.1,0.1,0.1). position(21,2,0.1,0.1,0.1,0.1,0.1,0.26,0.1,0.1,0.1). position(22,2,0.1,0.5,0.1,0.1,0.1,0.42,0.5,0.26,0.42). position(23,2,0.1,0.9,0.9,0.1,0.9,0.58,0.5,0.42,0.26). position(24,2,0.3,0.1,0.1,0.1,0.1,0.26,0.5,0.1,0.42). position(25,2,0.1,0.1,0.1,0.1,0.1,0.26,0.1,0.1,0.1). position(26,2,0.1,0.1,0.1,0.1,0.1,0.26,0.1,0.1,0.1). position(27,2,0.1,0.1,0.1,0.1,0.1,0.26,0.1,0.1,0.1). position(28,2,0.1,0.5,0.1,0.1,0.1,0.42,0.5,0.26,0.42). position(29,2,0.1,0.9,0.9,0.1,0.9,0.58,0.5,0.42,0.26). position(30,2,0.1,0.1,0.1,0.1,0.1,0.26,0.1,0.1,0.1). position(31,2,0.1,0.1,0.1,0.1,0.1,0.26,0.1,0.1,0.1). position(32,2,0.1,0.1,0.1,0.1,0.1,0.26,0.5,0.1,0.26). position(33,2,0.1,0.5,0.1,0.1,0.1,0.26,0.5,0.26,0.42). position(34,2,0.1,0.5,0.1,0.1,0.1,0.42,0.5,0.26,0.42). position(35,2,0.1,0.5,0.1,0.1,0.1,0.42,0.5,0.26,0.42). position(36,2,0.5,0.9,0.1,0.1,0.1,0.42,0.5,0.26,0.58). position(37,2,0.5,0.9,0.1,0.1,0.1,0.42,0.5,0.26,0.58). position(38,2,0.3,0.5,0.1,0.1,0.1,0.42,0.5,0.26,0.74). position(39,2,0.3,0.5,0.1,0.1,0.1,0.42,0.5,0.26,0.74). position(40,2,0.7,0.5,0.1,0.1,0.1,0.42,0.5,0.26,0.9). position(41,2,0.9,0.5,0.1,0.1,0.1,0.42,0.5,0.26,0.9). position(42,2,0.9,0.5,0.1,0.1,0.1,0.42,0.5,0.26,0.9). position(43,2,0.1,0.1,0.1,0.1,0.1,0.58,0.9,0.42,0.26). position(44,2,0.1,0.9,0.9,0.1,0.9,0.58,0.5,0.42,0.26). 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