예제 #1
0
 def add_dna(self):
     for i,j in enumerate(self.bond_MN):
         self.L=[]
         self.N=[]
         self.S=[]
         pt =  self.ssDNA[self.bond_MN[i]]
         if pt[2] == 0:
             self.vx, self.vy, self.vz = points.unit_vect(pt[0],pt[1],pt[2],self.x_length/2.0, self.x_length/2.0,
                     10)
         elif pt[2]<self.x_length/self.pheight/1.5:
             self.vx, self.vy, self.vz = points.unit_vect(pt[0],pt[1],pt[2],self.x_length/2.0, self.x_length/2.0,  -1)
         else:
             self.vx, self.vy, self.vz = points.unit_vect(pt[0],pt[1],pt[2],self.x_length/2.0, self.x_length/2.0,
                     self.x_length/self.pheight/2)
         self.vx=self.vx/self.scale
         self.vy=self.vy/self.scale
         self.vz=self.vz/self.scale
         if self.make_rigid:
             spacer_ds(self,self.ssDNA[self.bond_MN[i]][0],self.ssDNA[self.bond_MN[i]][1],self.ssDNA[self.bond_MN[i]][2],i)
         else:
             spacer(self,self.ssDNA[self.bond_MN[i]][0],self.ssDNA[self.bond_MN[i]][1],self.ssDNA[self.bond_MN[i]][2],i,start_scale=1.5)
         if self.no_linker == False:
             linker(self,j)
             nucleotide(self,j)
         else:
             end_bead(self,j)
예제 #2
0
 def add_dna(self):
     for i, j in enumerate(self.bond_MN):
         self.L = []
         self.N = []
         self.S = []
         pt = self.ssDNA[self.bond_MN[i]]
         if pt[2] == 0:
             self.vx, self.vy, self.vz = points.unit_vect(
                 pt[0], pt[1], pt[2], self.x_length / 2.0,
                 self.x_length / 2.0, 10)
         elif pt[2] < self.x_length / self.pheight / 1.5:
             self.vx, self.vy, self.vz = points.unit_vect(
                 pt[0], pt[1], pt[2], self.x_length / 2.0,
                 self.x_length / 2.0, -1)
         else:
             self.vx, self.vy, self.vz = points.unit_vect(
                 pt[0], pt[1], pt[2], self.x_length / 2.0,
                 self.x_length / 2.0, self.x_length / self.pheight / 2)
         self.vx = self.vx / self.scale
         self.vy = self.vy / self.scale
         self.vz = self.vz / self.scale
         if self.make_rigid:
             spacer_ds(self, self.ssDNA[self.bond_MN[i]][0],
                       self.ssDNA[self.bond_MN[i]][1],
                       self.ssDNA[self.bond_MN[i]][2], i)
         else:
             spacer(self,
                    self.ssDNA[self.bond_MN[i]][0],
                    self.ssDNA[self.bond_MN[i]][1],
                    self.ssDNA[self.bond_MN[i]][2],
                    i,
                    start_scale=1.5)
         if self.no_linker == False:
             linker(self, j)
             nucleotide(self, j)
         else:
             end_bead(self, j)
예제 #3
0
파일: np_sphere.py 프로젝트: cdknorow/genMD
 def add_dna(self):
     for i in range(self.data['num_dna']):
         self.L=[]
         self.N=[]
         self.S=[]
         self.vx,self.vy,self.vz = points.unit_vect(self.ssDNA[self.bond_MN[i]][0],self.ssDNA[self.bond_MN[i]][1],self.ssDNA[self.bond_MN[i]][2],0,0,0)
         self.vx=self.vx/self.scale
         self.vy=self.vy/self.scale
         self.vz=self.vz/self.scale
         if self.make_rigid:
             spacer_ds_mk(self,self.ssDNA[self.bond_MN[i]][0],self.ssDNA[self.bond_MN[i]][1],self.ssDNA[self.bond_MN[i]][2],i)
         else:
             spacer(self,self.ssDNA[self.bond_MN[i]][0],self.ssDNA[self.bond_MN[i]][1],self.ssDNA[self.bond_MN[i]][2],i)
         if self.no_linker == False:
             linker(self, i)
             nucleotide(self, i)
         else:
             end_bead(self,i)
예제 #4
0
파일: np_wall.py 프로젝트: cdknorow/genMD
 def add_dna(self):
     for i,j in enumerate(self.bond_MN):
         self.L=[]
         self.N=[]
         self.S=[]
         pt =  self.ssDNA[self.bond_MN[i]]
         self.vx, self.vy, self.vz =  points.unit_vect(pt[0],pt[1],pt[2],pt[0],pt[1],pt[2]-0.5)
         self.vx=self.vx/self.scale
         self.vy=self.vy/self.scale
         self.vz=self.vz/self.scale
         if self.make_rigid:
             spacer_ds(self,self.ssDNA[self.bond_MN[i]][0],self.ssDNA[self.bond_MN[i]][1],self.ssDNA[self.bond_MN[i]][2],i)
         else:
             spacer(self,self.ssDNA[self.bond_MN[i]][0],self.ssDNA[self.bond_MN[i]][1],self.ssDNA[self.bond_MN[i]][2],i)
         if self.no_linker == False:
             linker(self,j)
             nucleotide(self,j)
         else:
             end_bead(self,j)
예제 #5
0
파일: np_wall.py 프로젝트: syn2018/genMD
 def add_dna(self):
     for i, j in enumerate(self.bond_MN):
         self.L = []
         self.N = []
         self.S = []
         pt = self.ssDNA[self.bond_MN[i]]
         self.vx, self.vy, self.vz = points.unit_vect(
             pt[0], pt[1], pt[2], pt[0], pt[1], pt[2] - 0.5)
         self.vx = self.vx / self.scale
         self.vy = self.vy / self.scale
         self.vz = self.vz / self.scale
         if self.make_rigid:
             spacer_ds(self, self.ssDNA[self.bond_MN[i]][0],
                       self.ssDNA[self.bond_MN[i]][1],
                       self.ssDNA[self.bond_MN[i]][2], i)
         else:
             spacer(self, self.ssDNA[self.bond_MN[i]][0],
                    self.ssDNA[self.bond_MN[i]][1],
                    self.ssDNA[self.bond_MN[i]][2], i)
         if self.no_linker == False:
             linker(self, j)
             nucleotide(self, j)
         else:
             end_bead(self, j)
예제 #6
0
 def add_dna(self):
     for i in range(self.data['num_dna']):
         self.L = []
         self.N = []
         self.S = []
         self.vx, self.vy, self.vz = points.unit_vect(
             self.ssDNA[self.bond_MN[i]][0], self.ssDNA[self.bond_MN[i]][1],
             self.ssDNA[self.bond_MN[i]][2], 0, 0, 0)
         self.vx = self.vx / self.scale
         self.vy = self.vy / self.scale
         self.vz = self.vz / self.scale
         if self.make_rigid:
             spacer_ds_mk(self, self.ssDNA[self.bond_MN[i]][0],
                          self.ssDNA[self.bond_MN[i]][1],
                          self.ssDNA[self.bond_MN[i]][2], i)
         else:
             spacer(self, self.ssDNA[self.bond_MN[i]][0],
                    self.ssDNA[self.bond_MN[i]][1],
                    self.ssDNA[self.bond_MN[i]][2], i)
         if self.no_linker == False:
             linker(self, i)
             nucleotide(self, i)
         else:
             end_bead(self, i)