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GPMAW是一種詳細(xì)分析蛋白質(zhì)和多肽一級(jí)結(jié)構(gòu)的程序。雖然重點(diǎn)是質(zhì)譜分析,但您也會(huì)看到大量的物理/化學(xué)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(xué)工具已被包括在內(nèi),因此該程序的使用遠(yuǎn)遠(yuǎn)超出了簡(jiǎn)單的質(zhì)量分析。
該程序可在自Windows 2000以來(lái)的全部32位版本的Windows上運(yùn)行(即2000、XP、Vista、Win7)。它還將當(dāng)前的64位版本上運(yùn)行,但尚未在此版本上全部測(cè)試。它還可以在帶有Windows模擬器的Mac系統(tǒng)上運(yùn)行,但不能保證全部兼容。
序列處理:通過(guò)在Entrez和本地?cái)?shù)據(jù)庫(kù)(FastA格式和Swiss-Prot)中直接進(jìn)行數(shù)據(jù)庫(kù)搜索,從多種不同格式導(dǎo)入序列。序列可以保存在本地文件(數(shù)據(jù)庫(kù))中以備將來(lái)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(dǎo)出(單個(gè)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(guò)自動(dòng)方法(例如定義酶作用的靈活命名法)或手動(dòng)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(jìn)一步處理(例如cross-linked, new cleavage)。
可以在FastA格式的任意本地?cái)?shù)據(jù)庫(kù)上執(zhí)行肽質(zhì)量搜索。
生物信息學(xué):可以顯示大量圖表,可以在本地?cái)?shù)據(jù)庫(kù)上執(zhí)行BLAST搜索。使用Clustalw進(jìn)行多重比對(duì)。
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(rèn)視圖。從這里您可以調(diào)用大多數(shù)其他與序列相關(guān)的功能(通過(guò)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(cè)邊欄,
顯示二硫鍵、修飾殘基等。
通過(guò)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(dǎo)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(shè)置都可以在系統(tǒng)配置框中輕松預(yù)設(shè)。
序列窗口構(gòu)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(guò)自動(dòng)摘要命令從序列窗口調(diào)用。但是,還有其他方法,如手動(dòng)或半自動(dòng)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(xué)參數(shù)
電荷-單個(gè)/多個(gè)/負(fù)/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(guò)部分分切割(圖中藍(lán)色上標(biāo)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(shí)際參數(shù)可以由用戶配置。
通過(guò)點(diǎn)擊標(biāo)題可以對(duì)任意列進(jìn)行排序。第二次單擊會(huì)反轉(zhuǎn)排序。
通過(guò)工具欄和/或彈出菜單(單擊鼠標(biāo)右鍵),您可以訪問(wèn)與消化(如模擬HPLC反相色譜圖)或當(dāng)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.