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chemists in the academic world
https://www-jmg.ch.cam.ac.uk/data/c2k/people/applet.html18 Jul 2024: university of cambridge. chemists in the academic world. Chemists in the Academic World. Sorry, your browser does not support Java. Goodman Group, 2005-2024; privacy; last updated July 18, 2024. -
DEBG
https://www-jmg.ch.cam.ac.uk/cil/SGTL/accadoc/debg.html18 Jul 2024: university of cambridge. DEBG. DEBG. DEBG. a. The. DEBG. command controls the amount of information being written to the. COMFL.log. file. Can only have one number for each. DEBG. command, but can have any number of DEBG lines. DEBG 1 Reading and -
DBLE
https://www-jmg.ch.cam.ac.uk/cil/SGTL/accadoc/dble.html18 Jul 2024: university of cambridge. DBLE. DBLE. DBLE a b c d. This command replaces an sp3 atom with an sp2 atom. The first number is the atom number of an sp3 carbon atom, which will be turned into an sp2 carbon atom. The second and third numbers (b and c) -
macroModel
https://www-jmg.ch.cam.ac.uk/cil/SGTL/MacroModel.html18 Jul 2024: university of cambridge. macroModel. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. MacroModel Notes. How to start MacroModel / How to stop -
general chemistry journals
https://www-jmg.ch.cam.ac.uk/data/c2k/cj/general.html18 Jul 2024: university of cambridge. general chemistry journals. General. Chemicke Zvesti; published under the auspices of the Slovak Academy of Sciences, the Slovak Chemical Society and the Faculty of Chemistry, Tomas Bata University, Zlin). was Chemistry in -
ROTA
https://www-jmg.ch.cam.ac.uk/cil/SGTL/accadoc/rota.html18 Jul 2024: university of cambridge. ROTA. ROTA. ROTA a b theta. This command must be followed by two integers and a floating point number. The integers are atom numbers that define a torsion bond. This bond must not be cyclic, although the program does not -
FLTD
https://www-jmg.ch.cam.ac.uk/cil/SGTL/accadoc/fltd.html18 Jul 2024: university of cambridge. FLTD. FLTD. FLTD a b c maxdist. This command filters out all structures for which the two atoms numbered a and b are either above or below a certain distance apart. The. FLTD. command must be followed by three integers and -
ADDA
https://www-jmg.ch.cam.ac.uk/cil/SGTL/accadoc/adda.html18 Jul 2024: university of cambridge. ADDA. ADDA. ADDA a b c d. This command must be followed by four integers. The integers are atom numbers. A new atom, of type 3, will be added at the centre of the atoms listed, and at the end of the MacroModel data file. The -
FLIP
https://www-jmg.ch.cam.ac.uk/cil/SGTL/accadoc/flip.html18 Jul 2024: university of cambridge. FLIP. FLIP. FLIP. a b c d e. FLIP. must be followed by five integers, defining how a chiral centre is to be changed. The first integer is the atom number of the centre to be inverted, the second and third are two atoms which -
SROT
https://www-jmg.ch.cam.ac.uk/cil/SGTL/accadoc/srot.html18 Jul 2024: university of cambridge. SROT. SROT. SROT a b c d theta. This command must be followed by four integers and a floating point number. The integers are atom numbers that define a torsion bond. This bond must not be cyclic, although the program does -
Solubility Simulator
https://www-jmg.ch.cam.ac.uk/tools/magnus/solubility.html18 Jul 2024: university of cambridge. Solubility Simulator. Solubility Simulator. Sorry, your browser does not support Java. Enter values for either Si (intrinsic solubility) or Saq (aqueous solubility), for Ka (compulsory), and for either Kw or the temperature -
list of software
https://www-jmg.ch.cam.ac.uk/cil/SGTL/software.html18 Jul 2024: university of cambridge. list of software. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. Software. This is a list of software available in -
cyclohexane (boat)
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/cyclohexaneboat.html18 Jul 2024: university of cambridge. cyclohexane (boat). SMILES. C1CCCCC1. Canonical SMILES. C1CCCCC1. InChI. InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H2. -
DROT
https://www-jmg.ch.cam.ac.uk/cil/SGTL/accadoc/drot.html18 Jul 2024: university of cambridge. DROT. DROT. DROT a b c d theta1 theta2. This command does a crude conformation search, systematically twisting around two torsion angles. Twist a-b in increments of Theta1 and c-d in increments of Theta2 to create all -
index of names
https://www-jmg.ch.cam.ac.uk/data/molecules/nameindex.html18 Jul 2024: university of cambridge. index of names. Goodman Group, 2005-2024; privacy; last updated July 18, 2024. -
artemisinin
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/artemisinin.html18 Jul 2024: university of cambridge. artemisinin. SMILES. C[C@@H]1CC[C@]2([H])[C@]34[C@@]1([H])CC[C@@](OO4)(C)O[C@H]3OC([C@@H]2C)=O. Canonical SMILES. CC1CCC2C(C)C(=O)OC3OC4(C)CCC1C23OO4. InChI. InChI=1/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18 -
eadfrith
https://www-jmg.ch.cam.ac.uk/cil/SGTL/Eadfrith.html18 Jul 2024: university of cambridge. eadfrith. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. Eadfrith. If you want to look at a molecule quickly, -
practical seven: more problems
https://www-jmg.ch.cam.ac.uk/cil/SGTL/prac7.html18 Jul 2024: university of cambridge. practical seven: more problems. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemical Information Laboratory. and this information is for historical interest only. Practical Seven: More Problems. (1) -
pluronic L31
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/l31.html18 Jul 2024: university of cambridge. pluronic L31. Alternate names. pluronic L31. poloxamer. Notes. Pluronic L31 is a difunctional block copolymer surfactant, with an average molecular weight of 1100. The molecule illustrated here has two ethylene oxide units, -
WRIT
https://www-jmg.ch.cam.ac.uk/cil/SGTL/accadoc/writ.html18 Jul 2024: university of cambridge. WRIT. WRIT. This command takes no arguments. It writes a structure to the output file in its current state. Every command file ends with an implicit. WRIT. , so there is no need to use this command unless the output file
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