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本帖最后由 MichaelLiu 于 2021-1-16 23:33 编辑
系统为ubuntu 20.04，安装在Win10下用VMWare建立的虚拟机里，log文件为用g09运行正常结束后产生的，povray和povchem都已经安装，但是在执行AICD软件包中的教程chapter 1的时候遇到了问题，按照教程中的命令输入后，povray无法顺利的生成图片，具体终端显示如下
michaelliu@ubuntu:~/ACID/tutorial-data$ AICD -m 2 -s -rot 0 90 0 -b -1 0 0 -runpov benzol.nmr.log
Processing file benzol.nmr.log...
1. Dateienpaar: benzol.nmr.icd40000 und benzol.nmr.pdb
Molekülinformationen:
6 0 0 0 2.6192
6 0 0 2.2677 1.3096
6 0 0 2.2677 -1.3096
6 0 0 0 -2.6192
6 0 0 -2.2677 -1.3096
6 0 0 -2.2677 1.3096
1 0 0 0 4.6525
1 0 0 4.0289 2.3263
1 0 0 4.0289 -2.3263
1 0 0 0 -4.6525
1 0 0 -4.0289 -2.3263
1 0 0 -4.0289 2.3263
0 = -2147483648 * -2147483648 * -2147483648
Grenzen:
0 <= Isotropie <= 0
0 <= Anisotropie <= 0
0.38199 <= X <= 0.38199
0 <= Y <= 0
0 <= Z <= 0
Cube-file wird geschrieben. Bitte warten.
1. Input-file: benzol.nmr.icd40000
0 = -2147483648 * -2147483648 * -2147483648
Grenzen:
0 <= Isotropie <= 0
0 <= Anisotropie <= 0
0.381989 <= X <= 0.381989
0 <= Y <= 0
0 <= Z <= 0
Punkte auf der Isooberfläche
Es wurden 0 Pfeile generiert.
Davon zeigen 0 in die Isooberfläche hinein (-nan%).
Mittelwert der Pfeillänge: -nan
Pfeilstatistik:
0 0 0 0 0 0 0 0 0 0 0 0
Dreiecke werden generiert. Bitte warten.
Neuberechnen der Normalen. Bitte warten.
Povray-input wird geschrieben. Bitte warten.
Ignored 0 arrows who are shorter than 0
Ignored 0 arrows who are longer than 1e+10
Bildgrenzen:
1e+38 <= Isotropie <= -1e+38
1e+38 <= Anisotropie <= -1e+38
1e+38 <= X <= -1e+38
1e+38 <= Y <= -1e+38
1e+38 <= Z <= -1e+38
Welcome to PovChem! This is version 1.00. For general
instructions see http://ludwig.scs.uiuc.edu/~paul/Manual.html
Read configuration file "/home/michaelliu/ACID/povchem/povchem.cfg".
Read periodic table "/home/michaelliu/ACID/povchem/periodic.tab".
Found 12 atoms...
...loaded into memory.
Wrote 12 spheres...
...and read 24 bonds into memory.
Wrote 0 single, 12 double, 0 triple, 0 higher order, and 0 hydrogen bonds.
benzol.nmr.inc created.
Writing color and atom definitions...
Writing bond definitions...
Pov header benzol.nmr.pov created.
Persistence of Vision(tm) Ray Tracer Version 3.7.0.8.unofficial (g++ @
x86_64-pc-linux-gnu)
This is an unofficial version compiled by:
Dimitri John Ledkov <xnox@ubuntu.com> for Debian <www.debian.org>
The POV-Ray Team is not responsible for supporting this version.
POV-Ray is based on DKBTrace 2.12 by David K. Buck & Aaron A. Collins
Copyright 1991-2013 Persistence of Vision Raytracer Pty. Ltd.
Primary POV-Ray 3.7 Architects/Developers: (Alphabetically)
Chris Cason Thorsten Froehlich Christoph Lipka
With Assistance From: (Alphabetically)
Nicolas Calimet Jerome Grimbert James Holsenback Christoph Hormann
Nathan Kopp Juha Nieminen
Past Contributors: (Alphabetically)
Steve Anger Eric Barish Dieter Bayer David K. Buck
Nicolas Calimet Chris Cason Aaron A. Collins Chris Dailey
Steve Demlow Andreas Dilger Alexander Enzmann Dan Farmer
Thorsten Froehlich Mark Gordon James Holsenback Christoph Hormann
Mike Hough Chris Huff Kari Kivisalo Nathan Kopp
Lutz Kretzschmar Christoph Lipka Jochen Lippert Pascal Massimino
Jim McElhiney Douglas Muir Juha Nieminen Ron Parker
Bill Pulver Eduard Schwan Wlodzimierz Skiba Robert Skinner
Yvo Smellenbergh Zsolt Szalavari Scott Taylor Massimo Valentini
Timothy Wegner Drew Wells Chris Young
Other contributors are listed in the documentation.
Support libraries used by POV-Ray:
ZLib 1.2.11, Copyright 1995-2012 Jean-loup Gailly and Mark Adler
LibPNG 1.6.37, Copyright 1998-2012 Glenn Randers-Pehrson
LibJPEG , Copyright 1991-2013 Thomas G. Lane, Guido Vollbeding
LibTIFF 4.1.0, Copyright 1988-1997 Sam Leffler, 1991-1997 SGI
Boost 1.71, http://www.boost.org/
OpenEXR 2.3.0 and IlmBase 2.3.0, Copyright (c) 2002-2011 Industrial Light &
Magic.
Parser Options
Input file: /tmp/AICD-Si4qsh.d/RenderMich.pov
Remove bounds........On
Split unions.........Off
Library paths:
/usr/share/povray-3.7
/usr/share/povray-3.7/ini
/usr/share/povray-3.7/include
/tmp/AICD-Si4qsh.d
/usr/lib/povray3
/usr/lib/povray3/include
Clock value: 0.000 (Animation off)
Image Output Options
Image resolution.....1024 by 768 (rows 1 to 768, columns 1 to 1024).
Output file..........benzol.nmr_40000_0.050_-1_0_0_symmaniso_4.2.png, 24 bpp
PNG
Dithering............Off
Graphic display......Off
Mosaic preview.......Off
Continued trace......Off
Information Output Options
All Streams to console..........On
Debug Stream to console.........On
Fatal Stream to console.........On
Render Stream to console........On
Statistics Stream to console....On
Warning Stream to console.......On
==== [Parsing...] ==========================================================
File '/tmp/AICD-Si4qsh.d/Isoober.inc' line 24: Parse Error: No triangles in
triangle mesh.
Fatal error in parser: Cannot parse input.
Render failed
Error while processing povray input
在加入参数-c保存产生的pov文件后，复制到win下的povray里也无法产生图片，打开Isoober.inc文件看有部分内容确实为空：
#declare Magnetfeldvektor=
union
{ cylinder { < 5,-0,-0 >,< -2.5,0,0 >,0.15 }
cone { < -2.5,0,0 >,0.3,< -5,0,0 >,0.0 }
}
#declare Aufrufzeile=
text
{ ttf "timrom.ttf" "/home/michaelliu/ACID/AICD-smooth_isosurface -s -m 0 -x 10000000000 -- 0.050 -1 0 0 symmaniso benzol.nmr.icd40000 " 1, 0
pigment { color Black }
}
#declare Legende=
union
{ cylinder { < 0,0.1,0 >,< 0.44096,0.1,0 >,0.0304 pigment { Green }}
cone { < 0.44096,0.1,0 >,0.0608,< 0.52918,0.1,0 >,0 pigment { Red }}
text
{ ttf "timrom.ttf" "entspricht -nan" 1, 0
pigment { color Black }
scale 0.33
translate < 0.7,0,0 >
}
}
#declare Isooberflaeche =
mesh
{}
#declare Pfeile =
union
{}
求问应该如何解决，谢谢！
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发表于 Post on 2021-1-16 21:53:48
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发表于 Post on 2021-1-17 03:49:44
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