search for: molecular

Displaying 20 results from an estimated 638 matches for "molecular".

2018 May 03
3
Package for Molecular Properties
All Is there a package or library that will, given a nucleotide sequence 1. calculate the extinction coefficient at 260 nm for (Beer-Lambert's law) 2. calculate molecular weight 3. return it's complementary sequence I was able to find several packages that can do similar calculations for an amino acid sequence for proteins but none for nucleic acids. Any pointers, etc. would be great. thank you in advance Indr
2018 May 03
0
Package for Molecular Properties
library(sos) (mp <- findFn('{molecular properties}')) ????? ** found 7 matches in 4 packages and opened two web pages in my default browser with (a) the 7 matches and (b) the 4 packages. The first function was something for amino acids, like you suggested.? Two others returned compound and substance information from PubChem....
2018 May 03
1
Package for Molecular Properties
...ople keep coming along and sticking things into it." -- Opus (aka Berkeley Breathed in his "Bloom County" comic strip ) On Thu, May 3, 2018 at 12:58 AM, Spencer Graves <spencer.graves at effectivedefense.org> wrote: > > library(sos) > > > (mp <- findFn('{molecular properties}')) > > > ** found 7 matches in 4 packages and opened two web pages in my > default browser with (a) the 7 matches and (b) the 4 packages. The first > function was something for amino acids, like you suggested. Two others > returned compound and substance inf...
2012 Jan 30
1
Need to Write a Code that can find the molecular weight of various compounds
Hi! Just started working at a lab and have only minimal experience with R. I was wondering if there was a way to write a code that would intake a data set of chemical compounds (ex: H2O, CH3) and be able to give an output column of the molecular weight? I tried some really basic coding to try to work with a being a matrix of data with the assigned variables. if (A<-'H') A<-a[50,3] else (B<-'O') B<-a[86,3] ifelse (A=='H',A<-a[50,3],ifelse(B=='O',B<-a[86,3],0] I was thinking to have the p...
2004 Dec 07
0
DSViewerPro molecular modelling program
Dear Wine Users,<br>I need to do a Molecular Modelling demonstration for a class using the demo version of DSViewerPro downloadable freely from http://www.accelrys.com/download/ds_viewer_register/pro/ds_viewerpro_reg.php<br><br>Just for one class and for only a demo program I don't want to install a complete windows operating...
2010 Dec 10
0
Statistics and Bioinformatics Positions, Novartis Molecular Diagnostics, Cambridge MA USA and Basel, Switzerland
Dear all - My group at Novartis is looking for statisticians, bioinformaticians, or R programmers to support molecular diagnostics, with open positions in Cambridge MA, USA (priority) and in Basel Switzerland (possible). We do a range of data analyses across product lifecycle (research, tech dev, clin dev, market access) to support the development of prognostic and predictive diagnostics. And of...
2006 Aug 03
4
meta characters in file path
Hi, I need to read in some files. The file names contain come meta characters such as @, #, and white spaces etc, In read.csv, file= option, is there any way that one can make the function to recognize a file path with those characters? Thanks Johnny [[alternative HTML version deleted]]
2012 Dec 13
2
Position available University of Oxford UK
...UK *An exciting opportunity has arisen for a Postdoctoral Researcher in Bioinformatics/Statistics to join the Department of Oncology at the University of Oxford. The postholder will work under the supervision of Dr Francesca Buffa and Prof Adrian Harris, and will work closely with staff in the Molecular Oncology laboratories at the Weatherall Institute of Molecular Medicine. The work will involve the integration of Bioinformatics and Genome-wide Data-mining approaches with cancer physiological models, to develop tools for clinical decision making. The postholder will be involved in developmen...
2009 Jan 10
3
install.views()
Dear Rxperts, Using R 2.8.1 and trying install.views("Cluster") getting error Error: could not find function "install.views" Please help:-( -- Oscar Oscar A. Linares Molecular Medicine Unit Bolles Harbor Monroe, Michigan [[alternative HTML version deleted]]
2018 May 03
0
Package for Molecular Properties
Hi Spencer Thank you for your suggestion. I tried sos -- Is it actually supposed to actually list out the functions along with the packages? This is what I got: found 7 matches Downloaded 7 links in 4 packages. Ignoring template. Warning messages: 1: In file(templateFile, encoding = "utf-8", open = "r") : file("") only supports open = "w+" and open
2006 Feb 22
3
multinomial test
Hi All, What is the R function for computing multinomial distribution, e.g. f(2,1,3; 2/9, 1/6, 11/18, 6)? That is, a total of 6 trials, event 1's p1=2/9, x1=2, event 2's p2=1/6, x2=1, and event 3's p3=11/18, x3=3. thanks, Johnny [[alternative HTML version deleted]]
2010 Dec 26
4
Parsing a Simple Chemical Formula
...ote that for oxygen and bromine, O or Br, there is no following number meaning a 1 is implied). Let's say > form <- "C5H11BrO" I'd like to get the count of each element, so in this case I need to extract C and 5, H and 11, Br and 1, O and 1 (I want to calculate the molecular weight by mulitplying). Sounds pretty simple, but my experiments with grep and strsplit don't immediately clue me into an obvious solution. As I said, I don't need a general solution to the problem of calculating molecular weight from an arbitrary formula, that seems quite challen...
2004 Oct 22
1
64 Bit
Hello everybody! We at the Max Planck Society of Molecular Plant Physiologie want to know, if there is R version available for a 64 bit computer. If yes for which processor an amd or for a 64 bit Mac Thanks a lot Daniel ____________________________________________________ Daniel Weicht Max Planck Institute of Molecular Plant Physiology...
2014 Sep 03
0
Some Dsync Replication Errors
Greetings, Working on setting up replication and ran into some errors I have questions about and wondering if there's something I need to change. This one is fairly common: Sep 3 12:58:25 molecular dovecot: dsync-server(user at domain.org): Warning: Failed to do incremental sync for mailbox INBOX, retry with a full sync (Modseq 100298 no longer in transaction log) These two I ran into yesterday and today: Sep 2 11:13:32 molecular dovecot: dsync-server(user2 at domain2.org): Error: Timeo...
2004 Sep 23
7
decompose a correlation matrix
...mpose the upper triangle of a correlation matrix to a linear list; For example: X Y Z X 1 2 3 Y 2 1 4 Z 3 4 1 so you get a list like: xy 2 XZ 3 YZ 4 I suspect you can do it with a matrix transformation, but that beyond me at present. Many thanks Mark _________________________ Department of Molecular and Human Genetics, Baylor College of Medicine,
2002 May 24
1
R and QSAR equations
Hello R Users, I am interested in using R to generate quantitative structure-activity relationships (QSARs) for small molecules given a set of molecular descriptors (the X's) and biological data (Y's) (usually tab-delimited data files). Has anyone done this using R ? Would you be willing to share your R scripts (or ideas) for doing this with me ? I am particularly interested in R codes for optimizing variable selection as well as vali...
2003 Feb 19
4
Help in separate window under X11
Dear R users, Is there the possibitily in R under X11 to get (after typing help(...) command) separate help window, as it is in Windows version? Best wishes, ================================= Dr. Alexey B. Shipunov Section of Molecular Systematics Jodrell Laboratory Royal Botanic Gardens, Kew, Richmond, Surrey, TW9 3DS, U.K. e-mail: a.shipunov at rbgkew.org.uk
2014 Aug 27
2
Dovecot Replication of Maildirs: Couldn't create lock file ... no such file or directory
Greetings, I'm setting up replication and am getting this error from the server where the replicated mails are being initially created: Aug 27 11:03:53 molecular dovecot: dsync-server(user at domain.org): Error: Couldn't create lock /vmail/domain.org/user/home/.dovecot-sync.lock: No such file or directory Can anyone shed some light on this? Here's the Replicator config of the server which is being replicated to (initially), and it is identical...
2004 Jul 13
2
e1071 question: what's the definition of performance in t une.* functions?
...several values one of which is the performance. > Does any body know the "definition" of performance here? > Is it percentage of error or just the error rate or anything else? > > Thanks in advance! > > Tae-Hoon Chung, Ph.D > > Post-doctoral Research Fellow > Molecular Diagnostics and Target Validation Division > Translational Genomics Research Institute > 1275 W Washington St, Tempe AZ 85281 USA > Phone: 602-343-8724 >
2008 Aug 27
3
Closest value
Hello, I have this command: x.axis <- seq(from=0.5, to=4.5, length.out=13112) How can I which of the x.axis components is the closest to a given value, for example 3.2? Best, Dani -- Daniel Valverde Saub? Grup de Biologia Molecular de Llevats Facultat de Veterin?ria de la Universitat Aut?noma de Barcelona Edifici V, Campus UAB 08193 Cerdanyola del Vall?s- SPAIN Centro de Investigaci?n Biom?dica en Red en Bioingenier?a, Biomateriales y Nanomedicina (CIBER-BBN) Grup d'Aplicacions Biom?diques de la RMN Facultat de Bioci?nc...