|
Lines 1478-1484
Link Here
|
| 1478 |
SegID sgID; |
1478 |
SegID sgID; |
| 1479 |
Element element; |
1479 |
Element element; |
| 1480 |
PCAtom atom; |
1480 |
PCAtom atom; |
| 1481 |
pstr p; |
|
|
| 1482 |
char charge[10]; |
1481 |
char charge[10]; |
| 1483 |
|
1482 |
|
| 1484 |
strcpy ( LastFunc,"MMDB_F_Atom" ); |
1483 |
strcpy ( LastFunc,"MMDB_F_Atom" ); |
|
Lines 1552-1561
Link Here
|
| 1552 |
} else |
1551 |
} else |
| 1553 |
charge [0] = char(0); |
1552 |
charge [0] = char(0); |
| 1554 |
|
1553 |
|
| 1555 |
/* |
|
|
| 1556 |
if (FTN_STR(ID)[0]==' ') { |
1554 |
if (FTN_STR(ID)[0]==' ') { |
| 1557 |
atomName[0] = char(0); |
1555 |
atomName[0] = char(0); |
| 1558 |
if ((FTN_STR(AtNam)[1]=='H') || |
1556 |
if ((FTN_STR(AtNam)[1]=='H') && (FTN_STR(AtNam)[0]!='H') || |
| 1559 |
((FTN_STR(AtNam)[1]=='D') && (FTN_STR(ID)[2]=='D'))) { |
1557 |
((FTN_STR(AtNam)[1]=='D') && (FTN_STR(ID)[2]=='D'))) { |
| 1560 |
i = 0; |
1558 |
i = 0; |
| 1561 |
while ((i<nHydAtomNames) && |
1559 |
while ((i<nHydAtomNames) && |
|
Lines 1563-1574
Link Here
|
| 1563 |
if (i<nHydAtomNames) |
1561 |
if (i<nHydAtomNames) |
| 1564 |
GetStrTer ( atomName,FTN_STR(AtNam),4,5,FTN_LEN(AtNam) ); |
1562 |
GetStrTer ( atomName,FTN_STR(AtNam),4,5,FTN_LEN(AtNam) ); |
| 1565 |
} |
1563 |
} |
| 1566 |
if (!atomName[0]) { |
1564 |
|
|
|
1565 |
if ((FTN_STR(AtNam)[0]=='A') || ((FTN_STR(AtNam)[0]=='N') && (FTN_STR(ID)[1]!='N'))) { |
| 1566 |
GetStrTer ( atomName,FTN_STR(AtNam),4,5,FTN_LEN(AtNam) ); |
| 1567 |
} else if ((FTN_STR(ID)[1]=='N') && ( (FTN_STR(AtNam)[0]=='N') && (FTN_STR(AtNam)[1]=='N') )) { |
| 1568 |
GetStrTer ( atomName,FTN_STR(AtNam),4,5,FTN_LEN(AtNam) ); |
| 1569 |
} else if (!atomName[0]) { |
| 1567 |
atomName[0] = ' '; |
1570 |
atomName[0] = ' '; |
| 1568 |
GetStrTer ( &(atomName[1]),FTN_STR(AtNam),3,4,FTN_LEN(AtNam) ); |
1571 |
GetStrTer ( &(atomName[1]),FTN_STR(AtNam),3,4,FTN_LEN(AtNam) ); |
| 1569 |
} |
1572 |
} |
| 1570 |
} else |
1573 |
} else |
| 1571 |
*/ |
|
|
| 1572 |
GetStrTer ( atomName,FTN_STR(AtNam),4,5,4 ); |
1574 |
GetStrTer ( atomName,FTN_STR(AtNam),4,5,4 ); |
| 1573 |
|
1575 |
|
| 1574 |
|
1576 |
|