1mvm.pdb

很多二维 三维几何计算算法 C++ 类库

REMARK 300 GENERATED ABOVE USE                                                  
REMARK 300                                                                      
REMARK 300       XCRYST = [CARTCRYST] * XCART + X0                              
REMARK 300                                                                      
REMARK 300 WHERE THE MATRIX [CARTCRYST] TRANSFORMS CARTESIAN                    
REMARK 300 COORDINATES TO FRACTIONAL CRYSTAL COORDINATES.  X0 IS                
REMARK 300 THE CENTER POSITION OF THE PARTICLE.                                 
REMARK 300 THE MATRIX [CARTCRYST] IS THE PRODUCT OF A MATRIX [ORTH],            
REMARK 300 WHICH CONVERTS FROM CARTESIAN TO FRACTIONAL AND A                    
REMARK 300 ROTATION MATRIX [ROTATE]                                             
REMARK 300                                                                      
REMARK 300 THERE ARE TWO INDEPENDENT HALF PARTICLES IN THE                      
REMARK 300 CRYSTALLOGRAPHIC ASYMMETRIC UNIT.  THEREFORE, THE OBTAINED           
REMARK 300 CARTESIAN COORDINATES FOR THE FIRST THIRTY PROTOMERS HAVE            
REMARK 300 TO BE PLACED IN THE CRYSTAL UNIT CELL USING TWO ROTATION             
REMARK 300 MATRICES AND THEIR TWO CORRESPONDING POSITIONAL VECTORS              
REMARK 300 (X0).                                                                
REMARK 300                                                                      
REMARK 300                  0.8686   0.0000   0.4955                            
REMARK 300   [ROTATE] 1 =   0.0000   1.0000   0.0000                            
REMARK 300                 -0.4955   0.0000   0.8686                            
REMARK 300                                                                      
REMARK 300                 -0.2840   0.0000  -0.9588                            
REMARK 300   [ROTATE] 2 =   0.0000   1.0000   0.0000                            
REMARK 300                  0.9588   0.0000  -0.2840                            
REMARK 300                                                                      
REMARK 300 AND                                                                  
REMARK 300                 1/(A*SIN(BETA)      0.0      0.0                     
REMARK 300    [ORTH]    =  0.0                 1/B      0.0                     
REMARK 300                -1/(C*TAN(BETA)      0.0      1/C                     
REMARK 300                                                                      
REMARK 300              0.002240128  0.000000000  0.000000000                   
REMARK 300    [ORTH]=   0.000000000  0.002399808  0.000000000                   
REMARK 300              0.000332709  0.000000000  0.003275466                   
REMARK 300                                                                      
REMARK 300                                                                      
REMARK 300 THEN [CARTCRYST] 1 = [ORTH] * [ROTATE] 1                             
REMARK 300                                                                      
REMARK 300 AND  [CARTCRYST] 2 = [ORTH] * [ROTATE] 2                             
REMARK 300                                                                      
REMARK 300 THE VALUES OF THE PARTICLE POSITIONS, X0, ARE                        
REMARK 300                                                                      
REMARK 300  X= 0.0, Y= 0.0, Z= 0.0 (FRACTIONAL COORDINATES)                     
REMARK 300  X= 0.0, Y= 0.5, Z= 0.5 (FRACTIONAL COORDINATES)                     
REMARK 300 THE 59 TRANSFORMATIONS GIVEN ON MTRIX RECORDS BELOW WILL             
REMARK 300 GENERATE THE TWO HALF-PARTICLES THAT CONSTITUTE THE                  
REMARK 300 ASYMMETRIC UNIT.                                                     
REMARK 350                                                                      
REMARK 350 GENERATING THE BIOMOLECULE                                           
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D                            
REMARK 350   BIOMT1   1  0.500000  0.809017  0.309017        0.00000            
REMARK 350   BIOMT2   1 -0.809017  0.309017  0.500000        0.00000            
REMARK 350   BIOMT3   1  0.309017 -0.500000  0.809017        0.00000            
REMARK 350   BIOMT1   2 -0.309017  0.500000  0.809017        0.00000            
REMARK 350   BIOMT2   2 -0.500000 -0.809017  0.309017        0.00000            
REMARK 350   BIOMT3   2  0.809017 -0.309017  0.500000        0.00000            
REMARK 350   BIOMT1   3 -0.309017 -0.500000  0.809017        0.00000            
REMARK 350   BIOMT2   3  0.500000 -0.809017 -0.309017        0.00000            
REMARK 350   BIOMT3   3  0.809017  0.309017  0.500000        0.00000            
REMARK 350   BIOMT1   4  0.500000 -0.809017  0.309017        0.00000            
REMARK 350   BIOMT2   4  0.809017  0.309017 -0.500000        0.00000            
REMARK 350   BIOMT3   4  0.309017  0.500000  0.809017        0.00000            
REMARK 350   BIOMT1   5  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT2   5  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT3   5  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT1   6 -0.809017  0.309017  0.500000        0.00000            
REMARK 350   BIOMT2   6  0.309017 -0.500000  0.809017        0.00000            
REMARK 350   BIOMT3   6  0.500000  0.809017  0.309017        0.00000            
REMARK 350   BIOMT1   7 -0.500000 -0.809017  0.309017        0.00000            
REMARK 350   BIOMT2   7  0.809017 -0.309017  0.500000        0.00000            
REMARK 350   BIOMT3   7 -0.309017  0.500000  0.809017        0.00000            
REMARK 350   BIOMT1   8  0.500000 -0.809017 -0.309017        0.00000            
REMARK 350   BIOMT2   8  0.809017  0.309017  0.500000        0.00000            
REMARK 350   BIOMT3   8 -0.309017 -0.500000  0.809017        0.00000            
REMARK 350   BIOMT1   9  0.809017  0.309017 -0.500000        0.00000            
REMARK 350   BIOMT2   9  0.309017  0.500000  0.809017        0.00000            
REMARK 350   BIOMT3   9  0.500000 -0.809017  0.309017        0.00000            
REMARK 350   BIOMT1  10  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT2  10  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT3  10  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT1  11  0.309017 -0.500000  0.809017        0.00000            
REMARK 350   BIOMT2  11  0.500000  0.809017  0.309017        0.00000            
REMARK 350   BIOMT3  11 -0.809017  0.309017  0.500000        0.00000            
REMARK 350   BIOMT1  12  0.809017 -0.309017  0.500000        0.00000            
REMARK 350   BIOMT2  12 -0.309017  0.500000  0.809017        0.00000            
REMARK 350   BIOMT3  12 -0.500000 -0.809017  0.309017        0.00000            
REMARK 350   BIOMT1  13  0.809017  0.309017  0.500000        0.00000            
REMARK 350   BIOMT2  13 -0.309017 -0.500000  0.809017        0.00000            
REMARK 350   BIOMT3  13  0.500000 -0.809017 -0.309017        0.00000            
REMARK 350   BIOMT1  14  0.309017  0.500000  0.809017        0.00000            
REMARK 350   BIOMT2  14  0.500000 -0.809017  0.309017        0.00000            
REMARK 350   BIOMT3  14  0.809017  0.309017 -0.500000        0.00000            
REMARK 350   BIOMT1  15 -1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2  15  0.000000 -1.000000  0.000000        0.00000            
REMARK 350   BIOMT3  15  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1  16 -0.500000 -0.809017 -0.309017        0.00000            
REMARK 350   BIOMT2  16  0.809017 -0.309017 -0.500000        0.00000            
REMARK 350   BIOMT3  16  0.309017 -0.500000  0.809017        0.00000            
REMARK 350   BIOMT1  17  0.309017 -0.500000 -0.809017        0.00000            
REMARK 350   BIOMT2  17  0.500000  0.809017 -0.309017        0.00000            
REMARK 350   BIOMT3  17  0.809017 -0.309017  0.500000        0.00000            
REMARK 350   BIOMT1  18  0.309017  0.500000 -0.809017        0.00000            
REMARK 350   BIOMT2  18 -0.500000  0.809017  0.309017        0.00000            
REMARK 350   BIOMT3  18  0.809017  0.309017  0.500000        0.00000            
REMARK 350   BIOMT1  19 -0.500000  0.809017 -0.309017        0.00000            
REMARK 350   BIOMT2  19 -0.809017 -0.309017  0.500000        0.00000            
REMARK 350   BIOMT3  19  0.309017  0.500000  0.809017        0.00000            
REMARK 350   BIOMT1  20  0.000000 -1.000000  0.000000        0.00000            
REMARK 350   BIOMT2  20  0.000000  0.000000 -1.000000        0.00000            
REMARK 350   BIOMT3  20  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT1  21  0.809017 -0.309017 -0.500000        0.00000            
REMARK 350   BIOMT2  21 -0.309017  0.500000 -0.809017        0.00000            
REMARK 350   BIOMT3  21  0.500000  0.809017  0.309017        0.00000            
REMARK 350   BIOMT1  22  0.500000  0.809017 -0.309017        0.00000            
REMARK 350   BIOMT2  22 -0.809017  0.309017 -0.500000        0.00000            
REMARK 350   BIOMT3  22 -0.309017  0.500000  0.809017        0.00000            
REMARK 350   BIOMT1  23 -0.500000  0.809017  0.309017        0.00000            
REMARK 350   BIOMT2  23 -0.809017 -0.309017 -0.500000        0.00000            
REMARK 350   BIOMT3  23 -0.309017 -0.500000  0.809017        0.00000            
REMARK 350   BIOMT1  24 -0.809017 -0.309017  0.500000        0.00000            
REMARK 350   BIOMT2  24 -0.309017 -0.500000 -0.809017        0.00000            
REMARK 350   BIOMT3  24  0.500000 -0.809017  0.309017        0.00000            
REMARK 350   BIOMT1  25  0.000000  0.000000 -1.000000        0.00000            
REMARK 350   BIOMT2  25 -1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT3  25  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT1  26 -0.309017  0.500000 -0.809017        0.00000            
REMARK 350   BIOMT2  26 -0.500000 -0.809017 -0.309017        0.00000            
REMARK 350   BIOMT3  26 -0.809017  0.309017  0.500000        0.00000            
REMARK 350   BIOMT1  27 -0.809017  0.309017 -0.500000        0.00000            
REMARK 350   BIOMT2  27  0.309017 -0.500000 -0.809017        0.00000            
REMARK 350   BIOMT3  27 -0.500000 -0.809017  0.309017        0.00000            
REMARK 350   BIOMT1  28 -0.809017 -0.309017 -0.500000        0.00000            
REMARK 350   BIOMT2  28  0.309017  0.500000 -0.809017        0.00000            
REMARK 350   BIOMT3  28  0.500000 -0.809017 -0.309017        0.00000            
REMARK 350   BIOMT1  29 -0.309017 -0.500000 -0.809017        0.00000            
REMARK 350   BIOMT2  29 -0.500000  0.809017 -0.309017        0.00000            
REMARK 350   BIOMT3  29  0.809017  0.309017 -0.500000        0.00000            
REMARK 350   BIOMT1  30 -1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2  30  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3  30  0.000000  0.000000 -1.000000        0.00000            
REMARK 350   BIOMT1  31 -0.500000 -0.809017 -0.309017        0.00000            
REMARK 350   BIOMT2  31 -0.809017  0.309017  0.500000        0.00000            
REMARK 350   BIOMT3  31 -0.309017  0.500000 -0.809017        0.00000            
REMARK 350   BIOMT1  32  0.309017 -0.500000 -0.809017        0.00000            
REMARK 350   BIOMT2  32 -0.500000 -0.809017  0.309017        0.00000            
REMARK 350   BIOMT3  32 -0.809017  0.309017 -0.500000        0.00000            
REMARK 350   BIOMT1  33  0.309017  0.500000 -0.809017        0.00000            
REMARK 350   BIOMT2  33  0.500000 -0.809017 -0.309017        0.00000            
REMARK 350   BIOMT3  33 -0.809017 -0.309017 -0.500000        0.00000            
REMARK 350   BIOMT1  34 -0.500000  0.809017 -0.309017        0.00000            
REMARK 350   BIOMT2  34  0.809017  0.309017 -0.500000        0.00000            
REMARK 350   BIOMT3  34 -0.309017 -0.500000 -0.809017        0.00000            
REMARK 350   BIOMT1  35  0.000000 -1.000000  0.000000        0.00000            
REMARK 350   BIOMT2  35  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT3  35 -1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT1  36  0.809017 -0.309017 -0.500000        0.00000