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- if (protein[i] == Glu)
- ++GluNumber;
- if (protein[i] == Cys)
- ++CysNumber;
- if (protein[i] == Tyr)
- ++TyrNumber;
- if (protein[i] == His)
- ++HisNumber;
- if (protein[i] == Lys)
- ++LysNumber;
- if (protein[i] == Arg)
- ++ArgNumber;
- }
- double NQ = 0.0; //net charge in given pH
- double QN1=0; //C-terminal charge
- double QN2=0; //D charge
- double QN3=0; //E charge
- double QN4=0; //C charge
- double QN5=0; //Y charge
- double QP1=0; //H charge
- double QP2=0; //NH2 charge
- double QP3=0; //K charge
- double QP4=0; //R charge
- double pH = 0.0;
- QN1=-1/(1+pow(10,(3.65-pH)));
- QN2=-AspNumber/(1+pow(10,(3.9-pH)));
- QN3=-GluNumber/(1+pow(10,(4.07-pH)));
- QN4=-CysNumber/(1+pow(10,(8.18-pH)));
- QN5=-TyrNumber/(1+pow(10,(10.46-pH)));
- QP1=HisNumber/(1+pow(10,(pH-6.04)));
- QP2=1/(1+pow(10,(pH-8.2)));
- QP3=LysNumber/(1+pow(10,(pH-10.54)));
- QP4=ArgNumber/(1+pow(10,(pH-12.48)));
- NQ=QN1+QN2+QN3+QN4+QN5+QP1+QP2+QP3+QP4;
- system("PAUSE");
- return EXIT_SUCCESS;
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