1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24
|
REMARK For testing reading of CRYST
REMARK This has MODELs then CRYST entries
CRYST1 80.000 80.017 80.017 90.00 90.00 90.00 P 1 1
MODEL 1
ATOM 1 H2 TIP3 2390 10.000 44.891 14.267 1.00 0.00 TIP3
ATOM 2 OH2 TIP3 2391 67.275 48.893 23.568 1.00 0.00 TIP3
ATOM 3 H1 TIP3 2391 66.641 48.181 23.485 1.00 0.00 TIP3
ATOM 4 H2 TIP3 2391 66.986 49.547 22.931 1.00 0.00 TIP3
ENDMDL
CRYST1 70.000 80.017 80.017 90.00 90.00 90.00 P 1 1
MODEL 2
ATOM 1 H2 TIP3 2390 20.000 44.891 14.267 1.00 0.00 TIP3
ATOM 2 OH2 TIP3 2391 67.275 48.893 23.568 1.00 0.00 TIP3
ATOM 3 H1 TIP3 2391 66.641 48.181 23.485 1.00 0.00 TIP3
ATOM 4 H2 TIP3 2391 66.986 49.547 22.931 1.00 0.00 TIP3
ENDMDL
CRYST1 60.000 80.017 80.017 90.00 90.00 90.00 P 1 1
MODEL 3
ATOM 1 H2 TIP3 2390 30.000 44.891 14.267 1.00 0.00 TIP3
ATOM 2 OH2 TIP3 2391 67.275 48.893 23.568 1.00 0.00 TIP3
ATOM 3 H1 TIP3 2391 66.641 48.181 23.485 1.00 0.00 TIP3
ATOM 4 H2 TIP3 2391 66.986 49.547 22.931 1.00 0.00 TIP3
ENDMDL
END
|