mrcImageAssignedToTFofPDB
提供: Eospedia
mrcImageAssignedToTFofPDBとは画像の値をPDBに組み込むEosのコマンドである。
目次
オプション一覧
メインオプション
| オプション | 必須項目/選択項目 | 説明 | デフォルト |
|---|---|---|---|
| -i | 必須 | 入力ファイル: mrcImage | NULL |
| -p | 必須 | 入力ファイル: PDB | NULL |
| -o | 必須 | 出力ファイル: PDB | NULL |
| -H | 選択 | 閾値(HighLevel) | |
| -L | 選択 | 閾値(Lowlevel) | |
| -c | 選択 | コンフィグファイル設定 | NULL |
| -m | 選択 | モードを設定 | 0 |
| -h | 選択 | ヘルプを表示 |
モードの詳細
| モード | 説明 |
|---|---|
| 0 | デフォルト |
| 1 | Origin is Center (1) or BottomLeft (0) |
| 2 | Posi-Nega Reverse (2) or Direct (0) |
実行例
入力ファイルの画像
-i のデータの画像
 |
重心 最大半径 |
6.053012e+00 2.519590e+01 1.189075e+01 3.286664e+01 |
-前略- ATOM 1 N MET A 1 -7.176 32.630 -6.655 1.00 14.06 N ATOM 2 CA MET A 1 -5.913 31.928 -6.676 1.00 17.27 C ATOM 3 C MET A 1 -5.903 30.860 -5.600 1.00 16.41 C ATOM 4 O MET A 1 -6.703 30.881 -4.654 1.00 16.12 O ATOM 5 CB MET A 1 -4.712 32.869 -6.415 1.00 17.94 C -中略- ATOM 641 CE2 PHE A 82 14.813 20.233 17.454 1.00 9.42 C ATOM 642 CZ PHE A 82 14.402 19.552 16.322 1.00 10.16 C ATOM 643 N ALA A 83 13.147 24.056 19.362 1.00 8.77 N ATOM 644 CA ALA A 83 14.417 24.796 19.338 1.00 10.28 C ATOM 645 C ALA A 83 15.540 23.828 19.671 1.00 9.49 C ATOM 646 O ALA A 83 15.406 23.022 20.607 1.00 8.40 O ATOM 647 CB ALA A 83 14.390 25.939 20.368 1.00 9.40 C ATOM 648 N ILE A 84 16.654 23.891 18.940 1.00 10.76 N ATOM 649 CA ILE A 84 17.724 22.889 19.092 1.00 12.94 C ATOM 650 C ILE A 84 18.491 22.984 20.427 1.00 14.25 C -中略- HETATM 1547 O HOH A 359 -4.312 38.871 -6.155 1.00 34.57 O HETATM 1548 O HOH A 360 4.226 11.323 17.624 1.00 41.71 O HETATM 1549 O HOH A 361 22.341 27.132 10.735 1.00 24.44 O HETATM 1550 O HOH A 362 14.256 10.610 17.524 1.00 40.11 O HETATM 1551 O HOH A 363 26.542 18.231 27.104 1.00 35.00 O -後略-
-r のデータの画像
|
|
最小 最大 |
0 (0, 0, 0) 3500.79 (24, 28, 5) |
オプション必須項目のみの場合
-o のデータ
-前略- ATOM 1 N MET A 1 -7.176 32.630 -6.655 1.00 2.67 0 N ATOM 2 CA MET A 1 -5.913 31.928 -6.676 1.00 0.34 0 C ATOM 3 C MET A 1 -5.903 30.860 -5.600 1.00 0.01 0 C ATOM 4 O MET A 1 -6.703 30.881 -4.654 1.00 0.00 0 O ATOM 5 CB MET A 1 -4.712 32.869 -6.415 1.00 0.00 0 C -中略- ATOM 641 CE2 PHE A 82 14.813 20.233 17.454 1.00 0.14 0 C ATOM 642 CZ PHE A 82 14.402 19.552 16.322 1.00 0.03 0 C ATOM 643 N ALA A 83 13.147 24.056 19.362 1.001743.76 0 N ATOM 644 CA ALA A 83 14.417 24.796 19.338 1.00257.20 0 C ATOM 645 C ALA A 83 15.540 23.828 19.671 1.00 84.14 0 C ATOM 646 O ALA A 83 15.406 23.022 20.607 1.002170.21 0 O ATOM 647 CB ALA A 83 14.390 25.939 20.368 1.00 24.56 0 C ATOM 648 N ILE A 84 16.654 23.891 18.940 1.00 52.89 0 N ATOM 649 CA ILE A 84 17.724 22.889 19.092 1.00 67.56 0 C ATOM 650 C ILE A 84 18.491 22.984 20.427 1.00 45.37 0 C -中略- HETATM 1547 O HOH A 359 -4.312 38.871 -6.155 1.00 0.00 0 O HETATM 1548 O HOH A 360 4.226 11.323 17.624 1.00 0.00 0 O HETATM 1549 O HOH A 361 22.341 27.132 10.735 1.00 71.20 0 O HETATM 1550 O HOH A 362 14.256 10.610 17.524 1.00 0.74 0 O HETATM 1551 O HOH A 363 26.542 18.231 27.104 1.00 85.43 0 O -後略-
オプション -H
H=80で実行
-o のデータ
-前略- ATOM 1 N MET A 1 -7.176 32.630 -6.655 1.00 2.67 0 N ATOM 2 CA MET A 1 -5.913 31.928 -6.676 1.00 0.34 0 C ATOM 3 C MET A 1 -5.903 30.860 -5.600 1.00 0.01 0 C ATOM 4 O MET A 1 -6.703 30.881 -4.654 1.00 0.00 0 O ATOM 5 CB MET A 1 -4.712 32.869 -6.415 1.00 0.00 0 C -中略- ATOM 641 CE2 PHE A 82 14.813 20.233 17.454 1.00 0.14 0 C ATOM 642 CZ PHE A 82 14.402 19.552 16.322 1.00 0.03 0 C ATOM 643 N ALA A 83 13.147 24.056 19.362 1.00 80.00 0 N ATOM 644 CA ALA A 83 14.417 24.796 19.338 1.00 80.00 0 C ATOM 645 C ALA A 83 15.540 23.828 19.671 1.00 80.00 0 C ATOM 646 O ALA A 83 15.406 23.022 20.607 1.00 80.00 0 O ATOM 647 CB ALA A 83 14.390 25.939 20.368 1.00 24.56 0 C ATOM 648 N ILE A 84 16.654 23.891 18.940 1.00 52.89 0 N ATOM 649 CA ILE A 84 17.724 22.889 19.092 1.00 67.56 0 C ATOM 650 C ILE A 84 18.491 22.984 20.427 1.00 45.37 0 C -中略- HETATM 1547 O HOH A 359 -4.312 38.871 -6.155 1.00 0.00 0 O HETATM 1548 O HOH A 360 4.226 11.323 17.624 1.00 0.00 0 O HETATM 1549 O HOH A 361 22.341 27.132 10.735 1.00 71.20 0 O HETATM 1550 O HOH A 362 14.256 10.610 17.524 1.00 0.74 0 O HETATM 1551 O HOH A 363 26.542 18.231 27.104 1.00 80.00 0 O -後略-
オプション -L
L=1で実行
-o のデータ
-前略- ATOM 1 N MET A 1 -7.176 32.630 -6.655 1.00 2.67 0 N ATOM 2 CA MET A 1 -5.913 31.928 -6.676 1.00 1.00 0 C ATOM 3 C MET A 1 -5.903 30.860 -5.600 1.00 1.00 0 C ATOM 4 O MET A 1 -6.703 30.881 -4.654 1.00 1.00 0 O ATOM 5 CB MET A 1 -4.712 32.869 -6.415 1.00 1.00 0 C -中略- ATOM 641 CE2 PHE A 82 14.813 20.233 17.454 1.00 1.00 0 C ATOM 642 CZ PHE A 82 14.402 19.552 16.322 1.00 1.00 0 C ATOM 643 N ALA A 83 13.147 24.056 19.362 1.001743.76 0 N ATOM 644 CA ALA A 83 14.417 24.796 19.338 1.00257.20 0 C ATOM 645 C ALA A 83 15.540 23.828 19.671 1.00 84.14 0 C ATOM 646 O ALA A 83 15.406 23.022 20.607 1.002170.21 0 O ATOM 647 CB ALA A 83 14.390 25.939 20.368 1.00 24.56 0 C ATOM 648 N ILE A 84 16.654 23.891 18.940 1.00 52.89 0 N ATOM 649 CA ILE A 84 17.724 22.889 19.092 1.00 67.56 0 C ATOM 650 C ILE A 84 18.491 22.984 20.427 1.00 45.37 0 C -中略- HETATM 1547 O HOH A 359 -4.312 38.871 -6.155 1.00 1.00 0 O HETATM 1548 O HOH A 360 4.226 11.323 17.624 1.00 1.00 0 O HETATM 1549 O HOH A 361 22.341 27.132 10.735 1.00 71.20 0 O HETATM 1550 O HOH A 362 14.256 10.610 17.524 1.00 1.00 0 O HETATM 1551 O HOH A 363 26.542 18.231 27.104 1.00 85.43 0 O -後略-
オプション -m
m=1で実行
-o のデータ
-前略- ATOM 1 N MET A 1 -7.176 32.630 -6.655 1.00 0.00 0 N ATOM 2 CA MET A 1 -5.913 31.928 -6.676 1.00 0.00 0 C ATOM 3 C MET A 1 -5.903 30.860 -5.600 1.00 0.00 0 C ATOM 4 O MET A 1 -6.703 30.881 -4.654 1.00 0.00 0 O ATOM 5 CB MET A 1 -4.712 32.869 -6.415 1.00 0.00 0 C -中略- ATOM 641 CE2 PHE A 82 14.813 20.233 17.454 1.00 0.00 0 C ATOM 642 CZ PHE A 82 14.402 19.552 16.322 1.00 0.00 0 C ATOM 643 N ALA A 83 13.147 24.056 19.362 1.00 0.00 0 N ATOM 644 CA ALA A 83 14.417 24.796 19.338 1.00 0.00 0 C ATOM 645 C ALA A 83 15.540 23.828 19.671 1.00 0.00 0 C ATOM 646 O ALA A 83 15.406 23.022 20.607 1.00 0.00 0 O ATOM 647 CB ALA A 83 14.390 25.939 20.368 1.00 0.00 0 C ATOM 648 N ILE A 84 16.654 23.891 18.940 1.00 0.00 0 N ATOM 649 CA ILE A 84 17.724 22.889 19.092 1.00 0.00 0 C ATOM 650 C ILE A 84 18.491 22.984 20.427 1.00 0.00 0 C -中略- HETATM 1547 O HOH A 359 -4.312 38.871 -6.155 1.00 0.00 0 O HETATM 1548 O HOH A 360 4.226 11.323 17.624 1.00113.33 0 O HETATM 1549 O HOH A 361 22.341 27.132 10.735 1.00 0.00 0 O HETATM 1550 O HOH A 362 14.256 10.610 17.524 1.00 0.03 0 O HETATM 1551 O HOH A 363 26.542 18.231 27.104 1.00 0.00 0 O -後略-
m=2で実行
-o のデータ
-前略- ATOM 1 N MET A 1 -7.176 32.630 -6.655 1.00 2.67 0 N ATOM 2 CA MET A 1 -5.913 31.928 -6.676 1.00 0.34 0 C ATOM 3 C MET A 1 -5.903 30.860 -5.600 1.00 0.01 0 C ATOM 4 O MET A 1 -6.703 30.881 -4.654 1.00 0.00 0 O ATOM 5 CB MET A 1 -4.712 32.869 -6.415 1.00 0.00 0 C -中略- ATOM 641 CE2 PHE A 82 14.813 20.233 17.454 1.00 0.14 0 C ATOM 642 CZ PHE A 82 14.402 19.552 16.322 1.00 0.03 0 C ATOM 643 N ALA A 83 13.147 24.056 19.362 1.001743.76 0 N ATOM 644 CA ALA A 83 14.417 24.796 19.338 1.00257.20 0 C ATOM 645 C ALA A 83 15.540 23.828 19.671 1.00 84.14 0 C ATOM 646 O ALA A 83 15.406 23.022 20.607 1.002170.21 0 O ATOM 647 CB ALA A 83 14.390 25.939 20.368 1.00 24.56 0 C ATOM 648 N ILE A 84 16.654 23.891 18.940 1.00 52.89 0 N ATOM 649 CA ILE A 84 17.724 22.889 19.092 1.00 67.56 0 C ATOM 650 C ILE A 84 18.491 22.984 20.427 1.00 45.37 0 C -中略- HETATM 1547 O HOH A 359 -4.312 38.871 -6.155 1.00 0.00 0 O HETATM 1548 O HOH A 360 4.226 11.323 17.624 1.00 0.00 0 O HETATM 1549 O HOH A 361 22.341 27.132 10.735 1.00 71.20 0 O HETATM 1550 O HOH A 362 14.256 10.610 17.524 1.00 0.74 0 O HETATM 1551 O HOH A 363 26.542 18.231 27.104 1.00 85.43 0 O -後略-
m=3で実行
-o のデータ
-前略- ATOM 1 N MET A 1 -7.176 32.630 -6.655 1.00 0.00 0 N ATOM 2 CA MET A 1 -5.913 31.928 -6.676 1.00 0.00 0 C ATOM 3 C MET A 1 -5.903 30.860 -5.600 1.00 0.00 0 C ATOM 4 O MET A 1 -6.703 30.881 -4.654 1.00 0.00 0 O ATOM 5 CB MET A 1 -4.712 32.869 -6.415 1.00 0.00 0 C -中略- ATOM 641 CE2 PHE A 82 14.813 20.233 17.454 1.00 0.00 0 C ATOM 642 CZ PHE A 82 14.402 19.552 16.322 1.00 0.00 0 C ATOM 643 N ALA A 83 13.147 24.056 19.362 1.00 0.00 0 N ATOM 644 CA ALA A 83 14.417 24.796 19.338 1.00 0.00 0 C ATOM 645 C ALA A 83 15.540 23.828 19.671 1.00 0.00 0 C ATOM 646 O ALA A 83 15.406 23.022 20.607 1.00 0.00 0 O ATOM 647 CB ALA A 83 14.390 25.939 20.368 1.00 0.00 0 C ATOM 648 N ILE A 84 16.654 23.891 18.940 1.00 0.00 0 N ATOM 649 CA ILE A 84 17.724 22.889 19.092 1.00 0.00 0 C ATOM 650 C ILE A 84 18.491 22.984 20.427 1.00 0.00 0 C -中略- HETATM 1547 O HOH A 359 -4.312 38.871 -6.155 1.00 0.00 0 O HETATM 1548 O HOH A 360 4.226 11.323 17.624 1.00113.33 0 O HETATM 1549 O HOH A 361 22.341 27.132 10.735 1.00 0.00 0 O HETATM 1550 O HOH A 362 14.256 10.610 17.524 1.00 0.03 0 O HETATM 1551 O HOH A 363 26.542 18.231 27.104 1.00 0.00 0 O -後略-
