search for: pubchem

Hi, I am trying to use a CGI service (Pubchem PUG) via RCurl and am running into a problem where the data must be supplied via POST - but I don't know the keyword for the argument. The data to be sent is an XML fragment. I can do this via the command line using curl: I save the XML string to a file called query.xml and then do cu...

...{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. ????? Does this help? ????? Spencer On 2018-05-02 19:17, bbb_aaa at verizon.net wrote: > 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...

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

...gzipped text file directly from the web with gzcon(url()) and it works perfectly on OSX, but I cannot get it to work on linux at all, trying several different R versions and linux distributions. Any ideas? Here's an example of my code: z <- gzcon(url("ftp://ftp-private.ncbi.nlm.nih.gov/pubchem/.fetch/8897497837079742771.sdf.gz")) sdf <- readLines(z) close(z) On linux it produces the following error: Error in readLines(z) : cannot open the connection The non-gzipped version works flawlessly on linux: con <- url("http://chemmine.ucr.edu/ChemMineToolsV2/static/example_db.s...

...39;)) > > > ** 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. > > > Does this help? > Spencer > > > > On 2018-05-02 19:17, bbb_aaa at verizon.net wrote: >> >> All >> >> Is there a package or library that will, given a nucleotide sequence >> >> 1. calculate the extinction coefficient at 2...

Dear all, I've been trying on and off for the past few months to get SSOAP to work with chemspider. First I tried the WSDL file: cs<-processWSDL("http://www.chemspider.com/MassSpecAPI.asmx?WSDL") Error in parse(text = paste(txt, collapse = "\n")) : <text>:1:29: unexpected input 1: function(x, ..., obj = new( ? ^ In addition: