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GPMAW是一種詳細分析蛋白質(zhì)和多肽一級結構的程序。雖然重點是質(zhì)譜分析,但您也會看到大量的物理/化學數(shù)據(jù)。
GPMAW程序主要用作蛋白質(zhì)和肽的質(zhì)譜分析工具,然而,很多其他生物信息學工具已被包括在內(nèi),因此該程序的使用遠遠超出了簡單的質(zhì)量分析。
該程序可在自Windows 2000以來的全部32位版本的Windows上運行(即2000、XP、Vista、Win7)。它還將當前的64位版本上運行,但尚未在此版本上全部測試。它還可以在帶有Windows模擬器的Mac系統(tǒng)上運行,但不能保證全部兼容。
序列處理:通過在Entrez和本地數(shù)據(jù)庫(FastA格式和Swiss-Prot)中直接進行數(shù)據(jù)庫搜索,從多種不同格式導入序列。序列可以保存在本地文件(數(shù)據(jù)庫)中以備將來參考。
從序列窗口可以執(zhí)行大量操作。序列可以以FastA格式導出(單個或全部序列一次),以便輕松傳輸?shù)狡渌绦颉?/p>
質(zhì)量分析:可以通過自動方法(例如定義酶作用的靈活命名法)或手動切割蛋白質(zhì)。肽顯示有很多參數(shù)(各種質(zhì)量值-mono、ave、charges-Bull&Breese指數(shù)、HPLC指數(shù)、pI、charge)并且可以進一步處理(例如cross-linked, new cleavage)。
可以在FastA格式的任意本地數(shù)據(jù)庫上執(zhí)行肽質(zhì)量搜索。
生物信息學:可以顯示大量圖表,可以在本地數(shù)據(jù)庫上執(zhí)行BLAST搜索。使用Clustalw進行多重比對。
CustalW可執(zhí)行文件現(xiàn)在是GPMAw包的一部分,但在以前的版本中,需要自己安裝。
序列窗口
序列窗口是GPMAW的中心窗口,是序列的默認視圖。從這里您可以調(diào)用大多數(shù)其他與序列相關的功能(通過菜單、工具欄或彈出菜單)。
顯示器可以多種方式配置:
1或3字母顯示,
平均質(zhì)量/單同位素質(zhì)量,
固定殘余寬度
具有序列信息的側邊欄,
顯示二硫鍵、修飾殘基等。
通過突出顯示序列的一部分,您可以輕松獲得給定肽的質(zhì)量。為了便于導航,您可以為特定的殘留物上色(有三種不同的顏色和下劃線可用)。
大多數(shù)設置都可以在系統(tǒng)配置框中輕松預設。
序列窗口構成父窗口,可以從中創(chuàng)建大量派生子窗口:
肽窗口
Ms/Ms窗口
大規(guī)模搜索、合成搜索
圖表:Hydrophobicity, secondary structure, charge vs. pH, dot-plot, alpha-helical wheel
肽窗口
肽窗口通常通過自動摘要命令從序列窗口調(diào)用。但是,還有其他方法,如手動或半自動切割。
肽窗口列出了將由給定蛋白質(zhì)生成的全部肽以及大量(>20)物理化學參數(shù)
電荷-單個/多個/負/正
肽數(shù)、
位置、
HPLC指數(shù)
theoretical pI
Bull & Breese index
序列-1/3字母等
可以通過部分分切割(圖中藍色上標表示)、修飾的末端、修飾的殘基(甚至以有限的方式支持部分修飾)生成肽。為了在序列窗口中更方便引用而著色的特定殘基被帶到該窗口。顯示的實際參數(shù)可以由用戶配置。
通過點擊標題可以對任意列進行排序。第二次單擊會反轉(zhuǎn)排序。
通過工具欄和/或彈出菜單(單擊鼠標右鍵),您可以訪問與消化(如模擬HPLC反相色譜圖)或當前所選肽(ms/ms cleavage、肽信息、電荷與pH圖)。
【英文介紹】
GPMAW is a program for the detailed analysis of the primary structure of proteins and peptides. While the focus is on mass spectrometricl analysis, you will also be presented with a large number of physical/chemical data.
GPMAW - General Protein/Mass Analysis for Windows
The GPMAW program is primarily intended as a tool for mass spectrometric analysis of proteins and peptides. However, a number of other bioinformatics tools have been included, so the use of the program extends far beyond simple mass analysis.
The program runs on all 32-bit versions of Windows since Windows 2000 (i.e. 2000, XP, Vista, Win7). It will also run on current 64-bit versions, but has not been thoroughly tested on this platforms. It can also run on Mac systems with a Windows emulator, but full compatibility is not guaranteed.
Except for the ms/ms search, the program does not need a strong processor or fast hard disk but can run on any system. Running the ms/ms search you need a screen with SVGA+ resolution, otherwise, you can even run it on a netbook.
Sequence handling: Import of sequences from a number of different formats with direct database search in Entrez and in local databases (FastA format and Swiss-Prot). Sequences can be saved in local files (databases) for future reference.
From the sequence window a large number of actions can be performed. Sequences can be exported in FastA format (either singly or all sequences at once) for easy transfer to other programs.
Mass analysis: The protein can be cleaved by automatic methods (e.g. a flexible nomenclature for defining enzyme actions) or manually. The peptides are displayed with a number of parameters (various mass values - mono, ave, charges - Bull&Breese index, HPLC index, pI, charge) and can be further worked upon (e.g. cross-linked, new cleavage).
Peptide mass searches can be performed on any local database in FastA format.
Bioinformatics: A number of graphs can be displayed, hydrophobicity, dot-plot, secondary structure prediction. BLAST searches can be performed on local databases. Multiple alignment using ClustalW.
The CustalW executable is now part of the GPMAw package, but on previous versions you have to install yourself.