Hi all,
I have loaded a topology file by the name of "topo" into pymol and loaded
the trajectory file on top of it. Now pymol says "amn1136_xd1.trj" appended
into object "topo".
CmdLoadTraj: 250 total states in the object.
I want go through these states and write the distance between two atoms to
a file.
I already have a script that goes through and array of files and writes a
distance and an angle to a file.
f = open("twoD_dist_ang.txt", "w")
for i in range(0,len(numarray)):
pymol.cmd.reinitialize()
pymol.cmd.load('amn%d_xd1.pdb' %(numarray[i]))
ang=str(cmd.get_angle(atom1="179/C",atom2="206/N",atom3="996/N",state="0"))
dis=str(cmd.get_distance(atom1="993/CG",atom2="996/N",state="0"))
f.write (ang+'\t'+dis+'\t'+str(numarray[i])+'\n')
f.close()
I would really appreciate some advice on how to modify the above script to
go through the states of the above topology object "topo".
Best regards
Sajeewa Dewage
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