pdb2SketchMacro
提供: Eospedia
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 | 選択 | 入力ファイル: [pdb] | stdin |
-o | 選択 | 出力ファイル: [テキスト] | stdout |
-MolName | 選択 | 分子名(2文字以下が望ましい) | TS |
-c | 選択 | コンフィグファイル設定 | NULL |
-m | 選択 | モードを設定 | 15 |
-h | 選択 | ヘルプを表示 |
モードの詳細
モード | 説明 |
---|---|
1 | Helix sketched with spirals |
2 | Sheet sketched with arrows |
4 | Turn sketched with rattler |
8 | No structure sketched with rattler |
実行例
入力ファイルの画像
重心 最大半径 |
-4.617250e-01 -2.186292e-01 -5.402542e+00 3.823869e+01 |
オプション必須項目のみの場合
sam_atom_in /Input.pdb TS sketch_object TSH__1 sketch_setup Spiral solid 2.5 0.5 0.5 2 7 3 2 sketch_type Spiral paint_zone TS A10 A14 red sketch_add TS A10 A14 end_object sketch_object TSH__2 sketch_setup Spiral solid 2.5 0.5 0.5 2 7 3 2 sketch_type Spiral paint_zone TS A18 A35 red sketch_add TS A18 A35 end_object sketch_object TSH__3 sketch_setup Spiral solid 2.5 0.5 0.5 2 7 3 2 sketch_type Spiral paint_zone TS A51 A63 red sketch_add TS A51 A63 end_object sketch_object TSH__4 sketch_setup Spiral solid 2.5 0.5 0.5 2 7 3 2 sketch_type Spiral paint_zone TS A66 A70 red sketch_add TS A66 A70 end_object sketch_object TSH__5 sketch_setup Spiral solid 2.5 0.5 0.5 2 7 3 2 sketch_type Spiral paint_zone TS A72 A81 red sketch_add TS A72 A81 end_object sketch_object TSH__6 sketch_setup Spiral solid 2.5 0.5 0.5 2 7 3 2 sketch_type Spiral paint_zone TS A87 A101 red sketch_add TS A87 A101 end_object sketch_object TSN__1 sketch_setup Rattler solid 0.5 7 2 sketch_type Rattler paint_zone TS A1 A10 white sketch_add TS A1 A10 end_object sketch_object TSN__2 sketch_setup Rattler solid 0.5 7 2 sketch_type Rattler paint_zone TS A14 A18 white sketch_add TS A14 A18 end_object sketch_object TSN__3 sketch_setup Rattler solid 0.5 7 2 sketch_type Rattler paint_zone TS A35 A51 white sketch_add TS A35 A51 end_object -中略- sketch_object TSN_48 sketch_setup Rattler solid 0.5 7 2 sketch_type Rattler paint_zone TS A81 A87 white sketch_add TS A81 A87 end_object sketch_object TSN_49 sketch_setup Rattler solid 0.5 7 2 sketch_type Rattler paint_zone TS A101 0 white sketch_add TS A101 0 end_object
オプション -m
m=1で実行
sam_atom_in /Input.pdb TS sketch_object TSH__1 sketch_setup Spiral solid 2.5 0.5 0.5 2 7 3 2 sketch_type Spiral paint_zone TS A10 A14 red sketch_add TS A10 A14 end_object sketch_object TSH__2 sketch_setup Spiral solid 2.5 0.5 0.5 2 7 3 2 sketch_type Spiral paint_zone TS A18 A35 red sketch_add TS A18 A35 end_object sketch_object TSH__3 sketch_setup Spiral solid 2.5 0.5 0.5 2 7 3 2 sketch_type Spiral paint_zone TS A51 A63 red sketch_add TS A51 A63 end_object sketch_object TSH__4 sketch_setup Spiral solid 2.5 0.5 0.5 2 7 3 2 sketch_type Spiral paint_zone TS A66 A70 red sketch_add TS A66 A70 end_object sketch_object TSH__5 sketch_setup Spiral solid 2.5 0.5 0.5 2 7 3 2 sketch_type Spiral paint_zone TS A72 A81 red sketch_add TS A72 A81 end_object sketch_object TSH__6 sketch_setup Spiral solid 2.5 0.5 0.5 2 7 3 2 sketch_type Spiral paint_zone TS A87 A101 red sketch_add TS A87 A101 end_object
m=8で実行
sam_atom_in /Input.pdb TS sketch_object TSN__1 sketch_setup Rattler solid 0.5 7 2 sketch_type Rattler paint_zone TS A1 A10 white sketch_add TS A1 A10 end_object sketch_object TSN__2 sketch_setup Rattler solid 0.5 7 2 sketch_type Rattler paint_zone TS A14 A18 white sketch_add TS A14 A18 end_object sketch_object TSN__3 sketch_setup Rattler solid 0.5 7 2 sketch_type Rattler paint_zone TS A35 A51 white sketch_add TS A35 A51 end_object -中略- sketch_object TSN_48 sketch_setup Rattler solid 0.5 7 2 sketch_type Rattler paint_zone TS A81 A87 white sketch_add TS A81 A87 end_object sketch_object TSN_49 sketch_setup Rattler solid 0.5 7 2 sketch_type Rattler paint_zone TS A101 0 white sketch_add TS A101 0 end_object