中性条件下のアグマチン

中性条件下のアグマチン

by 孝昌 野中 -
Number of replies: 0

\tdplotsetmaincoords{240}{-10}\begin{tikzpicture}[scale=1,tdplot_main_coords,rotate=-45,declare function = {opc=0.9;Cvdw=1.70 cm; Nvdw=1.55 cm; Ovdw=1.52 cm; Hvdw=1.20 cm; Bvdw=1.92 cm; Clvdw=1.75 cm; Fvdw=1.47 cm; Svdw=1.80 cm; Pvdw=1.80cm; Brvdw=1.85 cm; Ivdw=1.98 cm; Ptvdw=1.75 cm; Mgvdw=0.86 cm;vdw=1/5; lw=3;_cell.entry_id = Agmatine1111298;_cell.length_a = 22.251;_cell.length_b = 7.199;_cell.length_c = 15.849;_cell.angle_alpha = 90.00;_cell.angle_beta = 90.00;_cell.angle_gamma = 90.00;_symmetry.space_group_name_H-M = 'P b c a';x0=9.539880; y0=2.804360; z0=5.598400;}]\coordinate (C1) at ( 7.345-x0,2.769-y0,7.568-z0);\coordinate (N1) at ( 7.076-x0,2.803-y0,9.043-z0);\coordinate (C2) at ( 8.823-x0,2.871-y0,7.240-z0);\coordinate (N2) at (10.420-x0,2.846-y0,3.783-z0);\coordinate (C3) at ( 8.981-x0,2.773-y0,5.715-z0);\coordinate (N3) at (11.388-x0,2.926-y0,1.715-z0);\coordinate (C4) at (10.433-x0,2.852-y0,5.265-z0);\coordinate (N4) at (12.728-x0,2.665-y0,3.587-z0);\coordinate (C5) at (11.533-x0,2.804-y0,3.043-z0);\coordinate (H1) at ( 5.919-x0,2.829-y0,9.081-z0);\coordinate (H2) at ( 7.343-x0,3.499-y0,9.319-z0);\coordinate (H3) at ( 7.343-x0,1.973-y0,9.398-z0);\coordinate (H4) at ( 6.942-x0,1.778-y0,7.243-z0);\coordinate (H5) at ( 6.764-x0,3.470-y0,7.259-z0);\coordinate (H6) at ( 9.279-x0,3.787-y0,7.560-z0);\coordinate (H7) at ( 9.345-x0,2.138-y0,7.623-z0);\coordinate (H8) at ( 8.500-x0,1.764-y0,5.436-z0);\coordinate (H9) at ( 8.455-x0,3.628-y0,5.373-z0);\coordinate (H10) at (10.947-x0,3.823-y0,5.626-z0);\coordinate (H11) at (10.992-x0,2.059-y0,5.658-z0);\coordinate (H12) at ( 9.523-x0,3.016-y0,3.281-z0);\coordinate (H13) at (10.302-x0,3.211-y0,1.284-z0);\coordinate (H14) at (11.993-x0,2.901-y0,1.141-z0);\coordinate (H15) at (12.728-x0,2.311-y0,4.628-z0);\coordinate (H16) at (13.395-x0,2.613-y0,3.091-z0);\foreach \labelx /\labely in {N1/H1, N1/H2, N1/H3, C1/H4, C1/H5, C2/H6, C2/H7, C3/H8, C3/H9, C4/H10, C4/H11, N2/H12, N3/H13, N3/H14, N4/H15, N4/H16} \draw[line width = lw, Pink1] (\labelx) -- (\labely);\draw[line width = lw, gray] (N1) -- (C1) -- (C2) -- (C3) -- (C4) -- (N2);\draw[line width = lw, green] (N2) -- (C5) -- (N3);\draw[line width = lw, green] (N4) -- (C5);\foreach \label in {H1, H2, H3, H4, H5, H6, H7, H8, H9, H10, H11, H12, H13, H14, H15, H16} \shade[ball color = white, opacity=opc] (\label) circle (vdw*Hvdw);\foreach \label in {C1, C2, C3, C4, C5} \shade[ball color = black, opacity=opc] (\label) circle (vdw*Cvdw);\foreach \label in {N1, N2, N3, N4} \shade[ball color = blue, opacity=opc] (\label) circle (vdw*Nvdw);\end{tikzpicture}

\tdplotsetmaincoords{240}{-10}
\begin{tikzpicture}[scale=1,tdplot_main_coords,rotate=-45,
declare function = {
opc=0.9;
Cvdw=1.70 cm; Nvdw=1.55 cm; Ovdw=1.52 cm; Hvdw=1.20 cm; Bvdw=1.92 cm; Clvdw=1.75 cm; Fvdw=1.47 cm; Svdw=1.80 cm; Pvdw=1.80cm; Brvdw=1.85 cm; Ivdw=1.98 cm; Ptvdw=1.75 cm; Mgvdw=0.86 cm;
vdw=1/5; lw=3;
_cell.entry_id = Agmatine1111298;
_cell.length_a = 22.251;
_cell.length_b = 7.199;
_cell.length_c = 15.849;
_cell.angle_alpha = 90.00;
_cell.angle_beta = 90.00;
_cell.angle_gamma = 90.00;
_symmetry.space_group_name_H-M = 'P b c a';
x0=9.539880; y0=2.804360; z0=5.598400;
}]
\coordinate (C1) at ( 7.345-x0,2.769-y0,7.568-z0);
\coordinate (N1) at ( 7.076-x0,2.803-y0,9.043-z0);
\coordinate (C2) at ( 8.823-x0,2.871-y0,7.240-z0);
\coordinate (N2) at (10.420-x0,2.846-y0,3.783-z0);
\coordinate (C3) at ( 8.981-x0,2.773-y0,5.715-z0);
\coordinate (N3) at (11.388-x0,2.926-y0,1.715-z0);
\coordinate (C4) at (10.433-x0,2.852-y0,5.265-z0);
\coordinate (N4) at (12.728-x0,2.665-y0,3.587-z0);
\coordinate (C5) at (11.533-x0,2.804-y0,3.043-z0);
\coordinate (H1) at ( 5.919-x0,2.829-y0,9.081-z0);
\coordinate (H2) at ( 7.343-x0,3.499-y0,9.319-z0);
\coordinate (H3) at ( 7.343-x0,1.973-y0,9.398-z0);
\coordinate (H4) at ( 6.942-x0,1.778-y0,7.243-z0);
\coordinate (H5) at ( 6.764-x0,3.470-y0,7.259-z0);
\coordinate (H6) at ( 9.279-x0,3.787-y0,7.560-z0);
\coordinate (H7) at ( 9.345-x0,2.138-y0,7.623-z0);
\coordinate (H8) at ( 8.500-x0,1.764-y0,5.436-z0);
\coordinate (H9) at ( 8.455-x0,3.628-y0,5.373-z0);
\coordinate (H10) at (10.947-x0,3.823-y0,5.626-z0);
\coordinate (H11) at (10.992-x0,2.059-y0,5.658-z0);
\coordinate (H12) at ( 9.523-x0,3.016-y0,3.281-z0);
\coordinate (H13) at (10.302-x0,3.211-y0,1.284-z0);
\coordinate (H14) at (11.993-x0,2.901-y0,1.141-z0);
\coordinate (H15) at (12.728-x0,2.311-y0,4.628-z0);
\coordinate (H16) at (13.395-x0,2.613-y0,3.091-z0);
\foreach \labelx /\labely in {N1/H1, N1/H2, N1/H3, C1/H4, C1/H5, C2/H6, C2/H7, C3/H8, C3/H9, C4/H10, C4/H11, N2/H12, N3/H13, N3/H14, N4/H15, N4/H16}
 \draw[line width = lw, Pink1] (\labelx) -- (\labely);
\draw[line width = lw, gray] (N1) -- (C1) -- (C2) -- (C3) -- (C4) -- (N2);
\draw[line width = lw, green] (N2) -- (C5) -- (N3);
\draw[line width = lw, green] (N4) -- (C5);
\foreach \label in {H1, H2, H3, H4, H5, H6, H7, H8, H9, H10, H11, H12, H13, H14, H15, H16}
 \shade[ball color = white, opacity=opc] (\label) circle (vdw*Hvdw);
\foreach \label in {C1, C2, C3, C4, C5}
 \shade[ball color = black, opacity=opc] (\label) circle (vdw*Cvdw);
\foreach \label in {N1, N2, N3, N4}
 \shade[ball color = blue, opacity=opc] (\label) circle (vdw*Nvdw);
\end{tikzpicture}