Nature Publishing Group NPG), the scientific publishing arm of Macmillan Publishers Ltd., is interested in automating processes within ChemDraw, a chemical structure drawing program. NPG currently uses ChemDraw for collecting chemical structures from authors, collating those materials and creating exports of individual compounds for use in production systems as well as information delivery to external databases. The current process is manual; NPG would like an automated solution.
An initial round of development work by the makers of ChemDraw had produced a tool that nearly, but not completely, addresses NPG's needs. Some modifications still need to be made that I will attempt to describe below. The VB code itself is short and the actual modifications I trust are not very difficult.
THE TOOL NOW:
1. A master .cdx (ChemDraw) file is provided by NPG containing a set of ChemDraw structures each grouped with a text box containing the compound number, and either the systematic name, the IUPAC name (chemcical names) or both.
2. The tool seperates the components.
3. The tool then takes the newly created .cdx files associated with the individual structures and creates .cml, .gif and .mol files for each structure (the tool just leverages these standard ChemDraw outputs).
4. It then processes the text associated with each structure and converts it to a spread sheet for cross-referencing the structures with the naming information in a tab-delimited file format.
THE MODIFIED TOOL
1. A master .cdx file as well as an initial tab-delimited file is provided by NPG. The .cdx file contains the structure drawing and the compound number only. The tab-delimited file contains the compound number and chemical names.
2. The tool seperates the components of the .cdx file (doesnt look for chemical name anymore just compound number)
3. (this is the same) The tool then takes the newly created .cdx files associated with the individual structures and creates .cml, .gif and .mol files for each structure (the tool just leverages these standard ChemDraw outputs).
[url removed, login to view] the comound numbers in both the master .cdx and tab-delimited file as an index, the tool creates a new spread sheet matching the orrect .mol file output names with the correct chemical names.
A more detailed spec will be provided.
13 freelance font une offre moyenne de $1118 pour ce travail
Hi, Ready to take the challange. Please have a look at PMB for details. Kind Regards, Bilal Niaz
Dear Sir We can do this for you. We are experts in VB and have done re-engineering and conversion projects. We would be able to debug and reverse -engineer the tool to fit in the required change using VisualBasic ve Plus
We are working with VB, for the past 6 years. We provide after sale service as long as our client wants it. It's our passion to do programming and we could even compromise on our payment for this if we are alloted the Plus
Dear Sir Hiensys IT Consulting is an emerging global technology services company delivering business solutions to its clients. We deliver the full range of application outsourcing, business process outsourcing, con Plus
We are professional CUSTOM SOFTWARE DEVELOPMENT COMPANY which successfully operates on the IT market for over SEVEN YEARS. Please open PM for further discussions of the given project and we won’t let you down. Best r Plus
Hello Sir We are an offshore well established company for about more than five years. We have experienced developers (PHP, ASP, ASP.NET, MYSQL, C# etc.) and those are dedicated in their respective [url removed, login to view] are 100 Plus
Hi There, We have gone through your message and assure you to give complete satisfaction by providing you the wonderful design and functionality for which you are looking for. We provide a reliable, responsive, qua Plus
Hi My name is Nirbhay and I have a company by the name of Certitude Softwares. Certitude Softwares is a website and software development company providing services to enterprises across the globe. We have gained un Plus
hi..we are a software development company and we are working in this field for more than 5+ years..please see my PM and visit my Web page..I am confident that we can finish you work in time with satisfaction..Thank you