![]() No package information for this port in our database Sometimes this happens. distinfo: There is no distinfo for this port. PKGNAME: xdrawchem Flavors: there is no flavor information for this port. No installation instructions: This port has been deleted. WWW: cgit ¦ GitHub ¦ GitHub ¦ GitLab ¦ pkg-plist: as obtained via: make generate-plist There is no configure plist information for this port. (Chemical Markup Language), read (some?) ChemDraw XML and binaryįiles, and export to EPS. It can read and write MDL Molfiles, read and write CML It comes with a library of amino acids and nucleicĪcids. XDrawChem is a program for drawing chemical structures in twoĭimensions. Maintainer: Port Added: 10:23:02 Last Update: 19:19:21 SVN Revision: 323748 People watching this port, also watch:: libao, cvsgraph License: not specified in port Description: from the Web page and the Freshmeat listing: Please change your password.ġ.9.9_11 biology =1 Version of this port present on the latest quarterly branch. You can read more here: SQL inejection issues fixed and FreshSource code fixesĪll known SQL injection issues patched. Anything you had set before Friday Ma09:49:20 UTC should be changed. The safest procedure: change your FreshPorts password. Want a good read? Try FreeBSD Mastery: Jails (IT Mastery Book 15) All times are UTC doi: 10.1016/0009-2614(96)00054-1.FreshPorts - biology/xdrawchem: Chemical drawing programĪs an Amazon Associate I earn from qualifying purchases. "Large-scale correlated electronic structure calculations: the RI-MP2 method on parallel computers". "High performance computational chemistry: an overview of NWChem a distributed parallel application". "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations". A full list of approximate coupled-cluster methods is available on the website. The Tensor Contraction Engine, or TCE, provides most of the functionality for the correlated methods, and can be used to develop additional many-body methods using a Python interface. Post-Hartree–Fock methods, including MP2 in the resolution of identity approximation (RI-MP2 ), multiconfigurational self-consistent-field (MCSCF) theory, selected configuration interaction (CI), Møller–Plesset perturbation theory (MP2, MP3, MP4), configuration interaction (CISD, CISDT, CISDTQ), and coupled cluster theory (CCSD, CCSDT, CCSDTQ, EOMCCSD, EOMCCSDT, EOMCCSDTQ).Time-dependent density functional theory. ![]()
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