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Mar 20th, 2018
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  1. if (protein[i] == Glu)
  2. ++GluNumber;
  3.  
  4. if (protein[i] == Cys)
  5. ++CysNumber;
  6.  
  7. if (protein[i] == Tyr)
  8. ++TyrNumber;
  9.  
  10. if (protein[i] == His)
  11. ++HisNumber;
  12.  
  13. if (protein[i] == Lys)
  14. ++LysNumber;
  15.  
  16. if (protein[i] == Arg)
  17. ++ArgNumber;
  18. }
  19.  
  20.  
  21. double NQ = 0.0; //net charge in given pH
  22.  
  23. double QN1=0; //C-terminal charge
  24. double QN2=0; //D charge
  25. double QN3=0; //E charge
  26. double QN4=0; //C charge
  27. double QN5=0; //Y charge
  28. double QP1=0; //H charge
  29. double QP2=0; //NH2 charge
  30. double QP3=0; //K charge
  31. double QP4=0; //R charge
  32.  
  33. double pH = 0.0;
  34.  
  35. QN1=-1/(1+pow(10,(3.65-pH)));
  36. QN2=-AspNumber/(1+pow(10,(3.9-pH)));
  37. QN3=-GluNumber/(1+pow(10,(4.07-pH)));
  38. QN4=-CysNumber/(1+pow(10,(8.18-pH)));
  39. QN5=-TyrNumber/(1+pow(10,(10.46-pH)));
  40. QP1=HisNumber/(1+pow(10,(pH-6.04)));
  41. QP2=1/(1+pow(10,(pH-8.2)));
  42. QP3=LysNumber/(1+pow(10,(pH-10.54)));
  43. QP4=ArgNumber/(1+pow(10,(pH-12.48)));
  44.  
  45. NQ=QN1+QN2+QN3+QN4+QN5+QP1+QP2+QP3+QP4;
  46.  
  47. system("PAUSE");
  48. return EXIT_SUCCESS;
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