Cryst1字段
Web14 hours ago · 如果想把坐标已经被Multiwfn旋转后的当前体系导出成pdb文件,从而能在VMD等程序中显示,可以选择2 Export the geometry in new orientation as new.pdb in current folder,此时当前目录下就会产生new.pdb。此文件中有个CRYST1字段,记录了此体系的长 … Web1 day ago · 比如含有CRYST1字段的pdb文件、GROMACS程序的gro文件、cif文件、VASP的POSCAR、CP2K的restart文件、含有平移矢量(Tv)的Gaussian输入文件,等等,完整列举见《使用Multiwfn非常便利地创建CP2K ...
Cryst1字段
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WebCryst. 释义: crystalline 意思、发音、翻译及示例 WebFeb 13, 2024 · The file cryst1.map consists of one line: cryst cryst1
WebApr 27, 2009 · 在Crystal Reports中,字段的类型有数据库字段,公式字段,参数字段,组名字段,运行总计字段,特殊字段,未绑定字段。 数据库字段: 查询数据集中字段的一种 … WebJun 18, 2009 · 字段,是Crystal Reports呈现数据的基本单元,也是报表的数据中心。在Crystal Reports中,字段的类型有数据库字段,公式字段,参数字段,组名字段,运行总 …
http://sobereva.com/617 Webadd_box_sides:给输出的pdb中增加CRYST1字段定义盒子,盒子尺寸对应体系中原子最大、最小坐标。如果写诸如add_box_sides 1.2,则会给盒子各方向再增加1.2埃,避免做模拟时有某些边界的原子和镜像盒子里的原子间存在不合理接触. 分子设定
WebValue. cryst1 returns a list of class ‘cryst1’ with the following components: abc. a numeric vector of length 3 containing the norms of the lattice vectors a, b and c. abg. a numeric vector of length 3 containing the angles between the lattice vectors $\alpha$, $\beta$ and $\gamma$. sgroup. a character string giving the Hermann-Mauguin ...
WebDefinition, Synonyms, Translations of cryst. by The Free Dictionary cull and pistol oyster barWebcryst1: 晶胞参数(nmr除外). 记述晶胞结构参数(a, b, c, α, β, γ, 空间群)以及z值(单位结构中的聚合链数). origxn: 直角-pdb坐标; scalen: 直角-晶体分数坐标(n=1, 2, 3, nmr除外). 说明数据 … cullay meaningWeb1 day ago · Jus 发表于 2024-10-12 11:58. sob老师好,请问如果我只想看盒子中其中一相的尺寸,可以操作吗. 可以结合VMD. 命令行里输入measure minmax [atomselect top 选择 … easter\\u0027s lock and keyhttp://bbs.keinsci.com/thread-25354-1-1.html easter\\u0027s lock and key joppa roadWebA font for crystallographic symmetry elements. A font, cryst, has been created by Ulrich Müller for displaying crystallographic symmetry axes in the style of the space-group diagrams in International Tables for Crystallography. The following files are available for download. cryst.afm Adobe Font Metrics file (Postscript); cryst.pfb Adobe binary … cullari vineyards \u0026 winery hersheycullather centerWebcryst1.ttf Truetype font; cryst1.pdf Documentation (in German) Instructions for use in TeX applications Installation cryst.mf contains the METAFONT file to produce the pk files. … easter\\u0027s plumbing