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我都觉得我可以写,哈哈
就是缓存上一个值比较呗
- [~/python]$ cat PYL5.pdb
- ATOM 573 O MET B 110 7.574 -8.751 -3.774 1.00 41.42 O
- ATOM 574 N VAL B 111 7.244 -7.123 -5.328 1.00 41.20 N
- ATOM 575 CA VAL B 111 6.111 -6.471 -4.776 1.00 42.74 C
- ATOM 576 CB VAL B 111 6.348 -4.974 -4.674 1.00 43.45 C
- ATOM 577 CG1 VAL B 111 5.257 -4.266 -3.868 1.00 0.00 C
- ATOM 578 CG2 VAL B 111 7.740 -4.774 -4.049 1.00 0.00 C
- ATOM 579 C VAL B 111 5.022 -6.999 -5.683 1.00 46.95 C
- ATOM 580 O VAL B 111 4.896 -8.203 -5.503 1.00 55.71 O
- ATOM 581 N PRO B 116 4.195 -6.511 -6.588 1.00 77.67 N
- ATOM 582 CA PRO B 116 3.376 -7.544 -7.190 1.00 75.54 C
- ATOM 583 CD PRO B 116 3.417 -5.287 -6.413 1.00 80.36 C
- ATOM 584 CB PRO B 116 2.112 -6.860 -7.716 1.00 74.55 C
- ATOM 585 CG PRO B 116 1.983 -5.596 -6.861 1.00 78.83 C
- ATOM 586 C PRO B 116 4.211 -8.026 -8.313 1.00 73.33 C
- ATOM 587 O PRO B 116 5.059 -8.901 -8.186 1.00 70.39 O
- ATOM 588 N ALA B 117 3.949 -7.422 -9.446 1.00 69.09 N
- ATOM 589 CA ALA B 117 4.764 -7.535 -10.648 1.00 61.56 C
- ATOM 590 CB ALA B 117 3.884 -7.662 -11.887 1.00 60.67 C
- ATOM 591 C ALA B 117 5.680 -6.324 -10.742 1.00 65.02 C
- ATOM 592 O ALA B 117 5.554 -5.488 -11.648 1.00 69.82 O
- ATOM 593 N VAL B 118 6.576 -6.224 -9.765 1.00 61.78 N
- [~/python]$ cat Change.py
- #!/usr/bin/python
- import re
- filein = open('PYL5.pdb','r')
- fileout = open('PYL5out.pdb','w+')
- initflag=1
- for line in filein:
- data=int(line.split()[5])
- if initflag==0:
- if data==lastdata+1 or data==lastdata:
- fileout.write("%s"%(line))
- else:
- fileout.write("TER\n")
- elif initflag==1:
- fileout.write("%s"%(line))
- initflag=0
- lastdata=data
- filein.close()
- fileout.close()
- [~/python]$ cat PYL5out.pdb
- ATOM 573 O MET B 110 7.574 -8.751 -3.774 1.00 41.42 O
- ATOM 574 N VAL B 111 7.244 -7.123 -5.328 1.00 41.20 N
- ATOM 575 CA VAL B 111 6.111 -6.471 -4.776 1.00 42.74 C
- ATOM 576 CB VAL B 111 6.348 -4.974 -4.674 1.00 43.45 C
- ATOM 577 CG1 VAL B 111 5.257 -4.266 -3.868 1.00 0.00 C
- ATOM 578 CG2 VAL B 111 7.740 -4.774 -4.049 1.00 0.00 C
- ATOM 579 C VAL B 111 5.022 -6.999 -5.683 1.00 46.95 C
- ATOM 580 O VAL B 111 4.896 -8.203 -5.503 1.00 55.71 O
- TER
- ATOM 582 CA PRO B 116 3.376 -7.544 -7.190 1.00 75.54 C
- ATOM 583 CD PRO B 116 3.417 -5.287 -6.413 1.00 80.36 C
- ATOM 584 CB PRO B 116 2.112 -6.860 -7.716 1.00 74.55 C
- ATOM 585 CG PRO B 116 1.983 -5.596 -6.861 1.00 78.83 C
- ATOM 586 C PRO B 116 4.211 -8.026 -8.313 1.00 73.33 C
- ATOM 587 O PRO B 116 5.059 -8.901 -8.186 1.00 70.39 O
- ATOM 588 N ALA B 117 3.949 -7.422 -9.446 1.00 69.09 N
- ATOM 589 CA ALA B 117 4.764 -7.535 -10.648 1.00 61.56 C
- ATOM 590 CB ALA B 117 3.884 -7.662 -11.887 1.00 60.67 C
- ATOM 591 C ALA B 117 5.680 -6.324 -10.742 1.00 65.02 C
- ATOM 592 O ALA B 117 5.554 -5.488 -11.648 1.00 69.82 O
- ATOM 593 N VAL B 118 6.576 -6.224 -9.765 1.00 61.78 N
复制代码 回复 3# 893932098
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