1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
|
/* protein.c - Protein sequence functions */
#ifdef HAVE_CONFIG_H
# include <config.h>
#endif
#include <ctype.h>
#include "extern/file.h"
#include "sequence/protein.h"
/* Global variables */ /* FIXME: To be loaded from external file ... */
/* ??? X = 118.8860 */
/* Average isotopic masses of amino acids, from
<URL:http://www.expasy.org/tools/findmod/findmod_masses.html#AA>
Some guessed values from
<URL:http://web.expasy.org/compute_pi/>
X = ???
B = D or N ... 114.6532
Z = E or Q ... 128.7473
*/
static double aaw[26] = {
071.0788, 114.6532, 103.1388, 115.0886, 129.1155, 147.1766, 057.0519, /*A-G*/
137.1411, 113.1594, 000.0000, 128.1741, 113.1594, 131.1926, 114.1038, /*H-N*/
237.3018, 097.1167, 128.1307, 156.1875, 087.0782, 101.1051, 150.0388, /*O-U*/
099.1326, 186.2132, 111.3316, 163.1760, 128.7473 }; /*V-Z*/
/* Get Molecular Weigth */
double protein_weight(char *seq) {
char *p;
double w;
int i;
/* Water average mass (H + OH) ... */
w = 18.0152;
p = seq;
while (*p) {
if (! isalpha((unsigned char)*p)) {
p++; continue; }
i = toupper((unsigned char)*p) - 'A';
w += aaw[i];
p++; }
return w; }
|
