mrcImageAssignedToTFofPDB

提供: Eospedia
移動: 案内検索

mrcImageAssignedToTFofPDBとは画像の値をPDBに組み込むEosコマンドである。


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

Input-121P-PDB.png

重心

最大半径

最大半径(座標)

6.053012e+00 2.519590e+01 1.189075e+01

3.286664e+01

24.77 23.85 28.04


-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-


Input-121P1.png
xy平面

Input1-121P1.png
yz平面

最小

最大
平均値
標準偏差

標準誤差

0 (0, 0, 0)

3500.79 (24, 28, 5)
88.3104
323.414

0.914753


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-