Dear Pymol user, I have a protein and multiple ligand conformations as trajectories, i.e, i have loaded the protein using "cmd.load("protein.pdb", "input")" I have split the ligand into multiple states using the following command split_states ligand, prefix=sel
now I have multiple objected created from "sel0001-sel0010" for example I wanted to create merged object as as individual files, like trj0001-traj0010 l.e, create trj0001, protein or sel0001 save traj0001.pdb, traj0001 create trj0002, protein or sel0002 save traj0002.pdb, traj0002 ... ... I want to automate file creation using python but I am wrote a script like the below but it is lengthy and I was not not able to effectively use pymol commands,"(cmd.createand cmd.save)" and I am stuck, can anyone suggest, if this can be shortened. My script is as follows, I am new to python programming, any user input will be helpful. Thankyou with regards Sriram ### script### python x=[] for i in range(1,10): x.append(f"trj%04d"%i) y=[] for j in range(1,10): y.append(f"sel%04d"%j) z=[] for i,j in zip(x,y): z.append(f"create {i},{j} or input") A=[] for k in zip(x): A.append("save {}.pdb,{}".format(*k,*k)) f=open('create.pml','w+') for e in zip(z): print(*e,sep="\n",file=f) f.close() s=open('save.pml','w+') for f in zip(A): print(*f,sep="\n",file=s) s.close() python end run create.pml run save.pml ###END###
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