diff options
Diffstat (limited to 'cad/tests/AMBER_test_structures/mmp/AminoAcids/CYX_CYSTEINE-S-S-CYSTEINE.mmp')
| -rw-r--r-- | cad/tests/AMBER_test_structures/mmp/AminoAcids/CYX_CYSTEINE-S-S-CYSTEINE.mmp | 108 |
1 files changed, 108 insertions, 0 deletions
diff --git a/cad/tests/AMBER_test_structures/mmp/AminoAcids/CYX_CYSTEINE-S-S-CYSTEINE.mmp b/cad/tests/AMBER_test_structures/mmp/AminoAcids/CYX_CYSTEINE-S-S-CYSTEINE.mmp new file mode 100644 index 000000000..7be7cb02a --- /dev/null +++ b/cad/tests/AMBER_test_structures/mmp/AminoAcids/CYX_CYSTEINE-S-S-CYSTEINE.mmp @@ -0,0 +1,108 @@ +mmpformat 080327 required; 080529 preferred +kelvin 300 +group (View Data) +info opengroup open = True +csys (HomeView) (1.000000, 0.000000, 0.000000, 0.000000) (10.000000) (0.000000, 0.000000, 0.000000) (1.000000) +csys (LastView) (1.000000, 0.000000, 0.000000, 0.000000) (9.547311) (0.000000, 0.000000, 0.000000) (1.000000) +csys (HomeView1) (1.000000, 0.000000, 0.000000, 0.000000) (10.000000) (0.000000, 0.000000, 0.000000) (1.000000) +csys (LastView1) (0.965474, 0.127192, -0.200452, 0.107242) (9.547311) (0.000000, 0.000000, 0.000000) (1.000000) +egroup (View Data) +group (CYX_CYSTEINE-S-S-CYSTEINE) +info opengroup open = True +mol (Chunk1) def +atom 1 (7) (-4876, -1615, 96) def +info atom atomtype = sp2(graphitic) +atom 2 (1) (-5409, -1336, 916) def +bond1 1 +atom 3 (1) (-5219, -2365, -499) def +bond1 1 +atom 4 (6) (-3581, -916, -239) def +bond1 1 +atom 5 (1) (-3230, -355, 627) def +bond1 4 +atom 6 (6) (-3764, 126, -1384) def +info atom atomtype = sp2 +bond1 4 +atom 7 (8) (-4219, -177, -2467) def +info atom atomtype = sp2 +bond2 6 +atom 8 (8) (-3364, 1502, -1113) def +bond1 6 +atom 9 (1) (-4106, 1974, -713) def +bond1 8 +atom 10 (6) (-2441, -1920, -606) def +bond1 4 +atom 11 (1) (-2312, -2671, 171) def +bond1 10 +atom 12 (1) (-2649, -2424, -1548) def +bond1 10 +atom 13 (7) (3919, -2625, -2687) def +info atom atomtype = sp2(graphitic) +atom 14 (1) (4421, -2422, -3548) def +bond1 13 +atom 15 (1) (4241, -3372, -2078) def +bond1 13 +atom 16 (6) (2696, -1820, -2316) def +bond1 13 +atom 17 (1) (2468, -1119, -3118) def +bond1 16 +atom 18 (6) (2933, -947, -1048) def +info atom atomtype = sp2 +bond1 16 +atom 19 (8) (3491, -1377, -62) def +info atom atomtype = sp2 +bond2 18 +atom 20 (8) (2452, 430, -1080) def +bond1 18 +atom 21 (1) (3151, 1002, -1422) def +bond1 20 +atom 22 (6) (1430, -2722, -2113) def +bond1 16 +atom 23 (1) (1491, -3623, -2720) def +bond1 22 +atom 24 (1) (1302, -3020, -1074) def +bond1 22 +atom 25 (16) (-793, -1064, -753) def +bond1 10 +atom 26 (16) (-135, -1875, -2658) def +bond1 25 22 +egroup (CYX_CYSTEINE-S-S-CYSTEINE) +end1 +group (Clipboard) +info opengroup open = False +group (Clipboard item 1) +info opengroup open = True +mol (Chunk1) def +atom 27 (7) (-5956, -1311, 53) def +info atom atomtype = sp2(graphitic) +atom 28 (1) (-6647, -648, 393) def +bond1 27 +atom 29 (1) (-6234, -2264, -166) def +bond1 27 +atom 30 (6) (-4521, -878, -132) def +bond1 27 +atom 31 (1) (-4223, -240, 701) def +bond1 30 +atom 32 (6) (-4335, -23, -1421) def +info atom atomtype = sp2 +bond1 30 +atom 33 (8) (-4820, -345, -2485) def +info atom atomtype = sp2 +bond2 32 +atom 34 (8) (-3544, 1199, -1313) def +bond1 32 +atom 35 (1) (-4100, 1908, -964) def +bond1 34 +atom 36 (6) (-3527, -2085, -141) def +bond1 30 +atom 37 (1) (-3647, -2708, 744) def +bond1 36 +atom 38 (1) (-3647, -2700, -1031) def +bond1 36 +mol (CYM_CYSTEINE_with_negative_charge.in_frag) def +atom 39 (16) (-1759, -1529, -132) def +info atom atomtype = sp2 +bond1 36 +egroup (Clipboard item 1) +egroup (Clipboard) +end molecular machine part CYX_CYSTEINE-S-S-CYSTEINE |