请教大家,用VMD选择指定的原子,选择分子中一个羧基的羟基部分和羰基O,pdb如下所示
ATOM 1C1 PA 2 -28.480 -48.800 7.9701.000.00
ATOM 2O2 PA 2 -27.580 -47.810 7.8401.000.00
ATOM 3O3 PA 2 -28.210 -49.960 7.8901.000.00
ATOM 4C4 PA 2 -29.880 -48.250 8.2301.000.00
ATOM 5C5 PA 2 -30.890 -49.390 8.4401.000.00
ATOM 6C6 PA 2 -32.340 -48.930 8.3301.000.00
ATOM 7C7 PA 2 -33.340 -50.090 8.4601.000.00
ATOM 8C8 PA 2 -33.380 -51.060 7.2701.000.00
ATOM 9C9 PA 2 -34.390 -50.680 6.1801.000.00
ATOM 10C10PA 2 -34.050 -49.390 5.4301.000.00
ATOM 11C11PA 2 -34.870 -49.140 4.1701.000.00
ATOM 12C12PA 2 -36.360 -49.200 4.4601.000.00
ATOM 13C13PA 2 -37.340 -48.850 3.3501.000.00
ATOM 14C14PA 2 -38.750 -49.360 3.7001.000.00
ATOM 15C15PA 2 -39.270 -48.910 5.0901.000.00
ATOM 16C16PA 2 -38.840 -49.790 6.2901.000.00
ATOM 17C17PA 2 -39.590 -49.470 7.5901.000.00
ATOM 18C18PA 2 -39.150 -50.350 8.7701.000.00
ATOM 19H19PA 2 -26.720 -48.130 7.5901.000.00
选择原子O3,语法为set sel1 [atomselect top "nameO3"]
如果选择O2和H19怎么语法这么选择呢?用set sel2 [atomselect top "name O2 and name H19"]貌似不行,还请大家多多指教,谢谢!